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

C15H16F4O2 — CID 105123623

IUPAC(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1cccc(C(=O)C2CCCC(C(F)(F)F)C2)c1F
InChIInChI=1S/C15H16F4O2/c1-21-12-7-3-6-11(13(12)16)14(20)9-4-2-5-10(8-9)15(17,18)19/h3,6-7,9-10H,2,4-5,8H2,1H3
InChIKeyFHSSYSQNHLIVAU-UHFFFAOYSA-N
MW304.28 g/mol
LogP4.39
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone

(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105123623) has the molecular formula C15H16F4O2 and a molecular weight of 304.28 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105123623
Molecular FormulaC15H16F4O2
Molecular Weight304.28 g/mol
Exact Mass304.11
IUPAC Name(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1cccc(C(=O)C2CCCC(C(F)(F)F)C2)c1F
InChIInChI=1S/C15H16F4O2/c1-21-12-7-3-6-11(13(12)16)14(20)9-4-2-5-10(8-9)15(17,18)19/h3,6-7,9-10H,2,4-5,8H2,1H3
InChIKeyFHSSYSQNHLIVAU-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

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Related Compounds

cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82808493
(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105097261
2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 31061522
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105135016
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105129285
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105098763

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone (CID 105123623) is (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone is COc1cccc(C(=O)C2CCCC(C(F)(F)F)C2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is FHSSYSQNHLIVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O2/c1-21-12-7-3-6-11(13(12)16)14(20)9-4-2-5-10(8-9)15(17,18)19/h3,6-7,9-10H,2,4-5,8H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
(2-fluoro-3-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 (2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105123623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).