1-Fluoroheptane
Properties
- Molecular formula
- C7H15F
- Molar mass
- 118.20 g/mol
- Exact mass
- 118.1158 Da
- Density
- 0.8029 g/mL (at 21 °C)
- Melting point
- −73 °C
- Boiling point
- 117.9 °C
- logP
- 2.93Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 5
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
661-11-0SMILES
CCCCCCCFInChIKey
BITLXSQYFZTQGC-UHFFFAOYSA-NInChI
InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Heptane, 1-fluoro-
- n-Heptyl fluoride
- Heptyl fluoride
Work with 1-Fluoroheptane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-Fluorodecane334-56-5100 % similar
1-Fluorododecane334-68-9100 % similar
1-Fluorohexane373-14-8100 % similar
1-Fluorooctane463-11-6100 % similar
1-Fluorononane463-18-3100 % similar
1-Fluorotetradecane73180-09-3100 % similar
1-Fluoropentane592-50-793 % similar
1-Fluorobutane2366-52-175 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.