2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone

C14H14F2O — CID 103457718

IUPAC2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone
SMILESO=C(C=C1CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H14F2O/c15-12-7-11(8-13(16)9-12)14(17)6-10-4-2-1-3-5-10/h6-9H,1-5H2
InChIKeyVKNLORGQPFEDBQ-UHFFFAOYSA-N
MW236.26 g/mol
LogP4.04
Rot. Bonds2

About 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone

2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone (PubChem CID 103457718) has the molecular formula C14H14F2O and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone
PubChem CID103457718
Molecular FormulaC14H14F2O
Molecular Weight236.26 g/mol
Exact Mass236.10
IUPAC Name2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone
SMILESO=C(C=C1CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H14F2O/c15-12-7-11(8-13(16)9-12)14(17)6-10-4-2-1-3-5-10/h6-9H,1-5H2
InChIKeyVKNLORGQPFEDBQ-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-cyclohexylideneethanone
CID 103457870
[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
CID 106651781
bis(3,5-difluorophenyl)methanone
CID 2760569
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829567
2-(3-chloro-5-fluorobenzoyl)cyclohexene-1-carboxylic acid
CID 146004281
2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 130991796
3-(3,5-difluorophenyl)-3-oxopropanal
CID 55268214
2-cyclohexylideneacetohydrazide;hydrochloride
CID 130670882
1-(3,5-difluorophenyl)-2,2-difluoroethanone
CID 91636131
(3Z)-3-[2-(3,5-difluorophenyl)-2-oxoethylidene]-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 72712146

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone?
The IUPAC name of 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone (CID 103457718) is 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone is O=C(C=C1CCCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone?
The InChIKey is VKNLORGQPFEDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O/c15-12-7-11(8-13(16)9-12)14(17)6-10-4-2-1-3-5-10/h6-9H,1-5H2.
What are the key properties of 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone?
2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone has a molecular weight of 236.26 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-1-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 103457718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).