2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone

C17H22F2O — CID 82920497

IUPAC2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2O/c1-11(2)13-4-6-14(7-5-13)17(20)10-12-3-8-15(18)16(19)9-12/h3,8-9,11,13-14H,4-7,10H2,1-2H3
InChIKeyACOZVRMXBOVURE-UHFFFAOYSA-N
MW280.36 g/mol
LogP4.54
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone

2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone (PubChem CID 82920497) has the molecular formula C17H22F2O and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
PubChem CID82920497
Molecular FormulaC17H22F2O
Molecular Weight280.36 g/mol
Exact Mass280.16
IUPAC Name2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2O/c1-11(2)13-4-6-14(7-5-13)17(20)10-12-3-8-15(18)16(19)9-12/h3,8-9,11,13-14H,4-7,10H2,1-2H3
InChIKeyACOZVRMXBOVURE-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone (CID 82920497) is 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone is CC(C)C1CCC(C(=O)Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The InChIKey is ACOZVRMXBOVURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O/c1-11(2)13-4-6-14(7-5-13)17(20)10-12-3-8-15(18)16(19)9-12/h3,8-9,11,13-14H,4-7,10H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone has a molecular weight of 280.36 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone is sourced from PubChem (CID 82920497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).