1-Fluorohexane
Properties
- Molecular formula
- C6H13F
- Molar mass
- 104.17 g/mol
- Exact mass
- 104.1001 Da
- Density
- 0.819 g/mL (at 0 °C)
- Melting point
- −103 °C
- Boiling point
- 91.5 °C
- logP
- 2.54Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
Danger
- H226 Flammable liquid and vapor97.5% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation97.5% of notifiers
- H319 Causes serious eye irritation97.5% of notifiers
- H331 Toxic if inhaled97.5% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
373-14-8SMILES
CCCCCCFInChIKey
OFERIJCSHDJMSA-UHFFFAOYSA-NInChI
InChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Hexane, 1-fluoro-
- Hexyl fluoride
- 1-Hexylfluoride
- 1-Hexyl fluoride
Reactions
Work with 1-Fluorohexane
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-Fluorooctane463-11-6100 % similar
1-Fluorononane463-18-3100 % similar
1-Fluoroheptane661-11-0100 % 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. All similar compounds