Back to Search
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptane
CAS: 375-88-2 | C7BrF15
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
375-88-2
Molecular Formula:
C7BrF15
Molecular Mass:
448.95 g/mol
Names and Synonyms:
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptane
Heptane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
Heptane, 1-bromopentadecafluoro-
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
Pentadecafluoro-1-bromoheptane
1-Bromopentadecafluoroheptane
Perfluoroheptyl bromide
1-Bromoperfluoroheptane
Identifiers:
SMILES:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChI:
InChI=1S/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
Key Properties
Boiling Point
118 °C
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 448.95 g/mol | CAS Common Chemistry |
| 448.95099999999996 g/mol | RDKit | |
| 447.89438540000003 g/mol | RDKit | |
| Boiling Point | 118 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br | CAS Common Chemistry |
| InChI | InChI=1S/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23 | CAS Common Chemistry |
| InChI Key | InChIKey=VPQQZKWYZYVTMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.712900000000001 | RDKit |
| Molar Refractivity | 44.664 | RDKit |
