1-Fluoroheptane

CAS: 661-11-0 · C7H15F

2D Structure

Loading 3D structure...

CAS Registry Number

661-11-0

SMILES

CCCCCCCF

InChI Key

BITLXSQYFZTQGC-UHFFFAOYSA-N

InChI

InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	118.20 g/mol	CAS Common Chemistry
	118.19500000000001 g/mol	RDKit
	118.195 g/mol	RDKit
Density	0.80 g/cm³	CAS Common Chemistry
	0.8029 g/cm3 @ 21 °C	CAS Common Chemistry
Boiling Point	117.9 °C	CAS Common Chemistry
Canonical SMILES	FCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=BITLXSQYFZTQGC-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-73 °C	CAS Common Chemistry
Name	1-Fluoroheptane	CAS Common Chemistry
Heavy Atom Count	8	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 Å²	RDKit
LogP	2.9263000000000012	RDKit
	2.9263	RDKit
Molar Refractivity	34.73399999999999 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	118.11577869999999 g/mol	RDKit

NMR, IR, and Mass spectral data

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.

Convert

MW = 118.20 g/mol; density = 0.800 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)