(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone

C15H17F3O — CID 106829569

IUPAC(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCC1(C(=O)c2ccc(C(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C15H17F3O/c1-14(9-3-2-4-10-14)13(19)11-5-7-12(8-6-11)15(16,17)18/h5-8H,2-4,9-10H2,1H3
InChIKeyOVCYLMDEFOXSNX-UHFFFAOYSA-N
MW270.29 g/mol
LogP4.86
Rot. Bonds2

About (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone

(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 106829569) has the molecular formula C15H17F3O and a molecular weight of 270.29 g/mol. Its IUPAC name is (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID106829569
Molecular FormulaC15H17F3O
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCC1(C(=O)c2ccc(C(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C15H17F3O/c1-14(9-3-2-4-10-14)13(19)11-5-7-12(8-6-11)15(16,17)18/h5-8H,2-4,9-10H2,1H3
InChIKeyOVCYLMDEFOXSNX-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone (CID 106829569) is (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone is CC1(C(=O)c2ccc(C(F)(F)F)cc2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is OVCYLMDEFOXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O/c1-14(9-3-2-4-10-14)13(19)11-5-7-12(8-6-11)15(16,17)18/h5-8H,2-4,9-10H2,1H3.
What are the key properties of (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone?
(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 270.29 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 106829569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).