1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one

C17H25F2NO — CID 121446382

IUPAC1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one
SMILESCC(F)(F)C(C)(C)C(=O)N1C=CC=CC1C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-16(2,17(3,18)19)15(21)20-12-8-7-11-14(20)13-9-5-4-6-10-13/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKeyPQAOHUMDNKWFKE-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.53
Rot. Bonds3

About 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one

1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one (PubChem CID 121446382) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one
PubChem CID121446382
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one
SMILESCC(F)(F)C(C)(C)C(=O)N1C=CC=CC1C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-16(2,17(3,18)19)15(21)20-12-8-7-11-14(20)13-9-5-4-6-10-13/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKeyPQAOHUMDNKWFKE-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Cyclohexyl-3-methylbut-3-en-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 91237716
1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoro-2,2-dimethylbutan-1-one
CID 121446376
1-(6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one
CID 132053078
1-[(2R)-2-cyclohexyl-2H-pyridin-1-yl]-3,3-difluoro-2,2-dimethylbutan-1-one
CID 146357156
1-(2-Cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one
CID 162571236
(3E,5E)-1-(cyclohexylmethyl)-4,5,8-trifluoro-2,8-dimethyl-7-methylidene-2H-azonin-9-one
CID 144227834
1-[(6S)-6-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoro-2,2-dimethylbutan-1-one
CID 153217477
N-(4-ethylcyclohexa-1,5-dien-1-yl)-N-(4-ethylcyclohex-3-en-1-yl)butanamide
CID 89771435
1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one
CID 121446400
1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbut-3-en-1-one
CID 121446402
1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one
CID 121446441
1-[(2R)-2-cyclohexyl-2H-pyridin-1-yl]-2,2-dimethylbut-3-en-1-one
CID 121446448

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one (CID 121446382) is 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one is CC(F)(F)C(C)(C)C(=O)N1C=CC=CC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one?
The InChIKey is PQAOHUMDNKWFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-16(2,17(3,18)19)15(21)20-12-8-7-11-14(20)13-9-5-4-6-10-13/h7-8,11-14H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one?
1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one has a molecular weight of 297.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one is sourced from PubChem (CID 121446382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).