Back to Search

Tegafur

CAS: 17902-23-7 | C8H9FN2O3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 17902-23-7
Molecular Formula: C8H9FN2O3
Molecular Weight: 200.16899999999993 g/mol

Names and Synonyms:

Tegafur
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-
Uracil, 5-fluoro-1-(tetrahydro-2-furyl)-
5-Fluoro-1-(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione
N1-(2-Tetrahydrofuryl)-5-fluorouracil
Fluorofur
FT 207
5-Fluoro-1-(tetrahydro-2-furyl)uracil
N1-(2′-Tetrahydrofuryl)-5-fluorouracil
Futraful
NSC 148958
5-Fluoro-1-(2-tetrahydrofuranyl)uracil
1-(Tetrahydro-2-furanyl)-5-fluorouracil
Tegafur
5-Fluoro-1-(tetrahydro-2-furanyl)-2,4-pyrimidinedione
1-(Tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
Fluaid
Ftorafur
Fluorafur
1-(2-Tetrahydrofuryl)-5-fluorouracil
N1-(2-Tetrahydrofuranyl)-5-fluorouracil
5-Fluoro-1-(tetrahydro-2′-furyl)uracil
Racemic Ftorafur
Furofutran
Riol
Fulaid
Citofur
Lamar
Coparogin
Fulfeel
Neberk
Furafluor
Fental
Sinoflurol
MJF 12264
Nitobanil
Exonal
Franrose
Lifril
Tefsiel C
Sunfural
TS 1
Utefos

Identifiers:

SMILES:
O=c1nc(O)c(F)cn1C1CCCO1
InChI:
InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 200.17 g/mol Legacy Database
density 1.51 g/cm³ Legacy Database
cas-canonical-smile O=C1NC(=O)N(C=C1F)C2OCCC2 None Legacy Database
cas-density 1.51 g/cm3 None Legacy Database
cas-inchi InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13) None Legacy Database
cas-inchi-key InChIKey=WFWLQNSHRPWKFK-UHFFFAOYSA-N None Legacy Database
cas-melting-point 171-173 °C None Legacy Database
cas-name Tegafur None Legacy Database
LogP 0.397 RDKit

Molecular

Property Value Source
Molecular Weight 200.16899999999993 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 200.059720368 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 14 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 5 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 64.35 Ų RDKit

Molar

Property Value Source
Molar Refractivity 44.342800000000025 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close