(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone

C14H15F3O — CID 105095400

IUPAC(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H15F3O/c1-9-2-3-11(15)8-12(9)13(18)10-4-6-14(16,17)7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyGHFSARZAWWKJBX-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.14
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone

(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 105095400) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID105095400
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H15F3O/c1-9-2-3-11(15)8-12(9)13(18)10-4-6-14(16,17)7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyGHFSARZAWWKJBX-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105095429
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737
(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970634
(2-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645
(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
CID 65389610
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone
CID 114970589
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
CID 116558686
(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
CID 116598341
cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone
CID 82493091

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone (CID 105095400) is (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is GHFSARZAWWKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c1-9-2-3-11(15)8-12(9)13(18)10-4-6-14(16,17)7-5-10/h2-3,8,10H,4-7H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone?
(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 256.27 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 105095400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).