1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone

C11H19FO2 — CID 118646988

IUPAC1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone
SMILESCC(=O)C1CCC(F)CC1OC(C)C
InChIInChI=1S/C11H19FO2/c1-7(2)14-11-6-9(12)4-5-10(11)8(3)13/h7,9-11H,4-6H2,1-3H3
InChIKeyBBPWMGFJLNGIRZ-UHFFFAOYSA-N
MW202.27 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone

1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone (PubChem CID 118646988) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone
PubChem CID118646988
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone
SMILESCC(=O)C1CCC(F)CC1OC(C)C
InChIInChI=1S/C11H19FO2/c1-7(2)14-11-6-9(12)4-5-10(11)8(3)13/h7,9-11H,4-6H2,1-3H3
InChIKeyBBPWMGFJLNGIRZ-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanone, 1-(tetrahydro-4-methyl-2H-pyran-2-yl)-
CID 89285
2-(Oxan-2-yl)cyclohexan-1-one
CID 10655030
Alpha-fluoro-beta-oxo-cyclohexanepropanoic acid ethyl ester
CID 10488900
Ethyl 3-cyclohexyl-2,2-difluoro-3-oxopropanoate
CID 14249555
2-Propanone, 1-(2-methoxycyclohexyl)-
CID 574348
1-Cyclohexyl-3-methoxypropan-1-one
CID 61412917
1-Cyclohexyl-4-fluoro-1-hydroxypentan-3-one
CID 134835601
5-Fluoro-1-(2-methoxycyclohexyl)pentan-2-one
CID 58129617
5-Fluoro-1-(2-propoxycyclohexyl)pentan-2-one
CID 58129618
1-[4,4-Difluoro-1-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
CID 89692026
2-(5,5-Difluorooxan-2-yl)-2,4-dimethylpentan-3-one
CID 89692476
1,1-Difluoro-3-methyl-1-(oxan-2-yl)butan-2-one
CID 89692590

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone?
The IUPAC name of 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone (CID 118646988) is 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone.
What is the SMILES notation for 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone?
The canonical SMILES for 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone is CC(=O)C1CCC(F)CC1OC(C)C.
What is the InChIKey of 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone?
The InChIKey is BBPWMGFJLNGIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-7(2)14-11-6-9(12)4-5-10(11)8(3)13/h7,9-11H,4-6H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone?
1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone has a molecular weight of 202.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-propan-2-yloxycyclohexyl)ethanone is sourced from PubChem (CID 118646988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).