1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone

C19H22F4O2 — CID 123283046

IUPAC1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F
InChIInChI=1S/C19H22F4O2/c1-12(24)14-9-15(13-5-6-13)17(10-16(14)20)25-11-18(19(21,22)23)7-3-2-4-8-18/h9-10,13H,2-8,11H2,1H3
InChIKeyBWQRNAMYDFYXAM-UHFFFAOYSA-N
MW358.38 g/mol
LogP5.80
Rot. Bonds5

About 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone

1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone (PubChem CID 123283046) has the molecular formula C19H22F4O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone
PubChem CID123283046
Molecular FormulaC19H22F4O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F
InChIInChI=1S/C19H22F4O2/c1-12(24)14-9-15(13-5-6-13)17(10-16(14)20)25-11-18(19(21,22)23)7-3-2-4-8-18/h9-10,13H,2-8,11H2,1H3
InChIKeyBWQRNAMYDFYXAM-UHFFFAOYSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.38
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide
CID 90016208
1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone
CID 123451180
tert-butyl 5-cyclopropyl-4-[[1-(difluoromethyl)cyclohexyl]methoxy]-2-fluorobenzoate
CID 86703732
1-[5-cyclopropyl-4-[(3,3-dimethylcyclohexyl)methoxy]-2-fluorophenyl]ethanone
CID 123454134
tert-butyl 5-cyclopropyl-2-fluoro-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzoate
CID 118110490
N-(azetidin-1-ylsulfonyl)-5-cycloprop-2-en-1-yl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide
CID 162592768
5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide
CID 144850164
tert-butyl 5-cyclopropyl-2-fluoro-4-[(3-methylazetidin-3-yl)methoxy]benzoate
CID 118353600
[[5-cyclopropyl-2-fluoro-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzoyl]-methylsulfonylamino] 2,2,2-trifluoroacetate
CID 141450870
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide
CID 90025410
[5-cyclopropyl-4-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methoxy]-2-fluorophenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138699863
tert-butyl 4-[[2-cyclopropyl-5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]methyl]-4-methylpiperidine-1-carboxylate
CID 118111001

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone (CID 123283046) is 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone is CC(=O)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F.
What is the InChIKey of 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone?
The InChIKey is BWQRNAMYDFYXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4O2/c1-12(24)14-9-15(13-5-6-13)17(10-16(14)20)25-11-18(19(21,22)23)7-3-2-4-8-18/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone?
1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone has a molecular weight of 358.38 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 123283046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).