(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone

C15H16F4O2 — CID 105097261

IUPAC(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1ccc(C(=O)C2CCCC(C(F)(F)F)C2)cc1F
InChIInChI=1S/C15H16F4O2/c1-21-13-6-5-10(8-12(13)16)14(20)9-3-2-4-11(7-9)15(17,18)19/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyBQDHGTVYLYHXMX-UHFFFAOYSA-N
MW304.28 g/mol
LogP4.39
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone

(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105097261) has the molecular formula C15H16F4O2 and a molecular weight of 304.28 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105097261
Molecular FormulaC15H16F4O2
Molecular Weight304.28 g/mol
Exact Mass304.11
IUPAC Name(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1ccc(C(=O)C2CCCC(C(F)(F)F)C2)cc1F
InChIInChI=1S/C15H16F4O2/c1-21-13-6-5-10(8-12(13)16)14(20)9-3-2-4-11(7-9)15(17,18)19/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyBQDHGTVYLYHXMX-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105123623
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105098763
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
4-butoxy-3-methoxy-N'-[(1S,3R)-3-(trifluoromethyl)cyclohexanecarbonyl]benzohydrazide
CID 51959294
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56898677
2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147803
(3,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105098223
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
(2-fluorophenyl) 3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 86998620
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone (CID 105097261) is (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone is COc1ccc(C(=O)C2CCCC(C(F)(F)F)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is BQDHGTVYLYHXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O2/c1-21-13-6-5-10(8-12(13)16)14(20)9-3-2-4-11(7-9)15(17,18)19/h5-6,8-9,11H,2-4,7H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 304.28 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105097261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).