1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one

C16H17F3O — CID 103457714

IUPAC1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(C=C1CCCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3O/c17-16(18,19)14-8-6-13(7-9-14)11-15(20)10-12-4-2-1-3-5-12/h6-10H,1-5,11H2
InChIKeyKCJSLXUUPYHZAQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.71
Rot. Bonds3

About 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one

1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 103457714) has the molecular formula C16H17F3O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID103457714
Molecular FormulaC16H17F3O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(C=C1CCCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3O/c17-16(18,19)14-8-6-13(7-9-14)11-15(20)10-12-4-2-1-3-5-12/h6-10H,1-5,11H2
InChIKeyKCJSLXUUPYHZAQ-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.71
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

(E)-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-one
CID 103453232
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
1-cycloheptylidene-3-hydroxypropan-2-one
CID 86245985
3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
N-(2-hydroxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62366302
3-(methylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 116564980
N-(2-pyrrolidin-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114793758
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
1-[4-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116592401

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one (CID 103457714) is 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one is O=C(C=C1CCCCC1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is KCJSLXUUPYHZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O/c17-16(18,19)14-8-6-13(7-9-14)11-15(20)10-12-4-2-1-3-5-12/h6-10H,1-5,11H2.
What are the key properties of 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one?
1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 282.31 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-3-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 103457714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).