(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone

C15H16F4O — CID 105095429

IUPAC(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1ccc(F)cc1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H16F4O/c1-9-2-7-12(16)8-13(9)14(20)10-3-5-11(6-4-10)15(17,18)19/h2,7-8,10-11H,3-6H2,1H3
InChIKeyZAJNSAQVVUQWGE-UHFFFAOYSA-N
MW288.28 g/mol
LogP4.69
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone

(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105095429) has the molecular formula C15H16F4O and a molecular weight of 288.28 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105095429
Molecular FormulaC15H16F4O
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1ccc(F)cc1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H16F4O/c1-9-2-7-12(16)8-13(9)14(20)10-3-5-11(6-4-10)15(17,18)19/h2,7-8,10-11H,3-6H2,1H3
InChIKeyZAJNSAQVVUQWGE-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
CID 105095400
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105093800
(2-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 118170789
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(3,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105098223
2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 131035867
(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone
CID 114970589
(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970634
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone (CID 105095429) is (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone is Cc1ccc(F)cc1C(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ZAJNSAQVVUQWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O/c1-9-2-7-12(16)8-13(9)14(20)10-3-5-11(6-4-10)15(17,18)19/h2,7-8,10-11H,3-6H2,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone?
(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 288.28 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105095429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).