1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone

C17H21FO2 — CID 123451180

IUPAC1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone
SMILESCC(=O)c1cc(C2CC2)c(OCC2CCCC2)cc1F
InChIInChI=1S/C17H21FO2/c1-11(19)14-8-15(13-6-7-13)17(9-16(14)18)20-10-12-4-2-3-5-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyDVCJXSBCJDBYAW-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.47
Rot. Bonds5

About 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone

1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone (PubChem CID 123451180) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone
PubChem CID123451180
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone
SMILESCC(=O)c1cc(C2CC2)c(OCC2CCCC2)cc1F
InChIInChI=1S/C17H21FO2/c1-11(19)14-8-15(13-6-7-13)17(9-16(14)18)20-10-12-4-2-3-5-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyDVCJXSBCJDBYAW-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-cyclopropyl-4-[(3,3-dimethylcyclohexyl)methoxy]-2-fluorophenyl]ethanone
CID 123454134
4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-cyclopropyl-2-fluorobenzoic acid
CID 90016499
4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluoro-N-(3-methoxyazetidin-1-yl)sulfonylbenzamide
CID 86703622
1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone
CID 123283046
5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide
CID 91809419
1-[5-cyclopropyl-2-fluoro-4-[[1-[(R)-phenyl(pyridin-3-yl)methyl]azetidin-3-yl]methoxy]phenyl]ethanone
CID 144850413
tert-butyl 4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-cyclopropyl-2-fluorobenzoate
CID 90015935
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[(4,4-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
CID 86703498
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
1-[5-cyclopropyl-2-fluoro-4-[[1-[(R)-phenyl(pyridin-3-yl)methyl]azetidin-3-yl]methoxy]phenyl]ethanone;ethane;molecular hydrogen
CID 144850412
4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 90015792
tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate
CID 167488791

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone?
The IUPAC name of 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone (CID 123451180) is 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone is CC(=O)c1cc(C2CC2)c(OCC2CCCC2)cc1F.
What is the InChIKey of 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone?
The InChIKey is DVCJXSBCJDBYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c1-11(19)14-8-15(13-6-7-13)17(9-16(14)18)20-10-12-4-2-3-5-12/h8-9,12-13H,2-7,10H2,1H3.
What are the key properties of 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone?
1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone has a molecular weight of 276.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone is sourced from PubChem (CID 123451180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).