4,4-Difluorocyclohexanamine

C₆H₁₁F₂NCAS 458566-84-2135.16 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₆H₁₁F₂N
Molar mass: 135.16 g/mol
Exact mass: 135.0860 Da
logP: 1.52Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

458566-84-2

SMILES

C1CC(CCC1N)(F)F

InChIKey

MQOFXVWAFFJFJH-UHFFFAOYSA-N

InChI

InChI=1S/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(4,4-Difluorocyclohexyl)amine

Work with 4,4-Difluorocyclohexanamine

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 Isotope patternExact mass and the mass spectrum pattern

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.

(4,4-Difluorocyclohexyl)amine hydrochloride675112-70-6Salt

Similar compounds

4,4-Difluorocyclohexanol22419-35-848 % similar 4-(Trifluoromethyl)cyclohexanamine58665-70-646 % similar 3,3-Difluorocyclobutanamine hydrochloride637031-93-746 % similar trans-1,4-Diaminocyclohexane2615-25-044 % similar 1,4-Diaminocyclohexane3114-70-344 % similar Cyclopropylamine765-30-044 % similar (4,4-Difluorocyclohexyl)methanol178312-48-644 % similar 4-Bromomethyl-1,1-difluoro-cyclohexane858121-94-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook