4,4-Difluoropiperidine
Properties
- Molecular formula
- C5H9F2N
- Molar mass
- 121.13 g/mol
- Exact mass
- 121.0703 Da
- pKa
- 8.5
- logP
- 1.01Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled95.1% of notifiers
- H302 Harmful if swallowed97.6% of notifiers
- H312 Harmful in contact with skin95.1% of notifiers
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
- H332 Harmful if inhaled95.1% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
21987-29-1SMILES
FC1(F)CCNCC1InChIKey
MJOUJKDTBGXKIU-UHFFFAOYSA-NInChI
InChI=1S/C5H9F2N/c6-5(7)1-3-8-4-2-5/h8H,1-4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Piperidine, 4,4-difluoro-
Work with 4,4-Difluoropiperidine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3,3-Difluoropyrrolidine hydrochloride163457-23-657 % similar
4-(Trifluoromethyl)-4-piperidinol373603-69-143 % similar
3,3-Difluoropiperidine hydrochloride496807-97-740 % similar
3-Azaspiro(5.5)undecane hydrochloride180-44-938 % similar
3,3-Difluoroazetidine hydrochloride288315-03-738 % similar
1,4-Dioxa-8-azaspiro(4.5)decane177-11-736 % similar
2-Oxa-7-azaspiro[3.5]nonane241820-91-736 % similar
4,4-Difluorocyclohexanol22419-35-835 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.