(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone

C15H19FO — CID 107186732

IUPAC(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
SMILESCC1(C)CCCCC1C(=O)c1ccccc1F
InChIInChI=1S/C15H19FO/c1-15(2)10-6-5-8-12(15)14(17)11-7-3-4-9-13(11)16/h3-4,7,9,12H,5-6,8,10H2,1-2H3
InChIKeyZRQPWYXAXSHQJG-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.22
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone

(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone (PubChem CID 107186732) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
PubChem CID107186732
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
SMILESCC1(C)CCCCC1C(=O)c1ccccc1F
InChIInChI=1S/C15H19FO/c1-15(2)10-6-5-8-12(15)14(17)11-7-3-4-9-13(11)16/h3-4,7,9,12H,5-6,8,10H2,1-2H3
InChIKeyZRQPWYXAXSHQJG-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107176683
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107176525
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 107176485
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176367
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
CID 107175171
5-(2,2-dimethylcyclohexanecarbonyl)furan-2-carboxylic acid
CID 107187699

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone (CID 107186732) is (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone is CC1(C)CCCCC1C(=O)c1ccccc1F.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone?
The InChIKey is ZRQPWYXAXSHQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-15(2)10-6-5-8-12(15)14(17)11-7-3-4-9-13(11)16/h3-4,7,9,12H,5-6,8,10H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone?
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone has a molecular weight of 234.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 107186732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).