4,4-Difluorocyclohexanone

C6H8F2OCAS 22515-18-0134.13 g/mol

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Alkyl halideKetone

Properties

Molecular formula
C6H8F2O
Molar mass
134.13 g/mol
Exact mass
134.0543 Da
logP
1.76Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
22515-18-0
SMILES
O=C1CCC(F)(F)CC1
InChIKey
NYYSPVRERVXMLJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2

Weigh it out

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

Names and synonyms

2 names
  • Cyclohexanone, 4,4-difluoro-
  • 4,4-Difluorocyclohexan-1-one

Work with 4,4-Difluorocyclohexanone

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

Similar compounds

4,4-Difluoroheptanedioic acid diethyl ester22515-16-845 % similar 1,4-Cyclohexanedione637-88-744 % similar 1,4-Dioxaspiro[4.5]decan-8-one4746-97-844 % similar 4-(Trifluoromethyl)cyclohexanone75091-99-542 % similar 1-Azaspiro[4.5]decane-2,8-dione749861-03-841 % similar Cyclobutanone1191-95-340 % similar Cyclopentanone120-92-340 % similar Cyclohexanone108-94-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook