1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one

C17H23F2NO — CID 162571236

IUPAC1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one
SMILESCC(F)(F)C(C)(C)C(=O)N1C=CC=CC1=C1CCCCC1
InChIInChI=1S/C17H23F2NO/c1-16(2,17(3,18)19)15(21)20-12-8-7-11-14(20)13-9-5-4-6-10-13/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyWGVUBWWKDXDWPC-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.80
Rot. Bonds2

About 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one

1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one (PubChem CID 162571236) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one
PubChem CID162571236
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one
SMILESCC(F)(F)C(C)(C)C(=O)N1C=CC=CC1=C1CCCCC1
InChIInChI=1S/C17H23F2NO/c1-16(2,17(3,18)19)15(21)20-12-8-7-11-14(20)13-9-5-4-6-10-13/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyWGVUBWWKDXDWPC-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one (CID 162571236) is 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one is CC(F)(F)C(C)(C)C(=O)N1C=CC=CC1=C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one?
The InChIKey is WGVUBWWKDXDWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-16(2,17(3,18)19)15(21)20-12-8-7-11-14(20)13-9-5-4-6-10-13/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one?
1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one has a molecular weight of 295.37 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one is sourced from PubChem (CID 162571236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).