3-Fluoro-1-propanol
Properties
- Molecular formula
- C3H7FO
- Molar mass
- 78.09 g/mol
- Exact mass
- 78.0481 Da
- Density
- 1.039 g/mL (at 25 °C)
- Boiling point
- 127.8 °C
- logP
- 0.34Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor60% of notifiers
- H226 Flammable liquid and vapor20% of notifiers
- H301 Toxic if swallowed20% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage20% of notifiers
- H319 Causes serious eye irritation80% of notifiers
- H335 May cause respiratory irritation80% of notifiers
- H412 Harmful to aquatic life with long lasting effects20% of notifiers
Aggregated from 5 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, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
462-43-1SMILES
OCCCFInChIKey
NLRJUIXKEMCEOH-UHFFFAOYSA-NInChI
InChI=1S/C3H7FO/c4-2-1-3-5/h5H,1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1-Propanol, 3-fluoro-
- 3-Hydroxypropyl fluoride
- 3-Fluoropropanol
Work with 3-Fluoro-1-propanol
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
2-Fluoroethanol371-62-060 % similar
1,4-Butanediol110-63-450 % similar
Polytetrahydrofuran25190-06-150 % similar
1,3-Difluoropropane462-39-550 % similar
1,3-Propanediol504-63-250 % similar
1,5-Pentanediol111-29-547 % similar
1,10-Decanediol112-47-047 % similar
1,13-Tridecanediol13362-52-247 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.