N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H22F3NO2 — CID 104622192

IUPACN-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1C(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C15H22F3NO2/c1-19(10-6-8-11(20)9-7-10)14(21)12-4-2-3-5-13(12)15(16,17)18/h10,12-13H,2-9H2,1H3
InChIKeyNYXNDWPOTVIEAT-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.33
Rot. Bonds2

About N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622192) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622192
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1C(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C15H22F3NO2/c1-19(10-6-8-11(20)9-7-10)14(21)12-4-2-3-5-13(12)15(16,17)18/h10,12-13H,2-9H2,1H3
InChIKeyNYXNDWPOTVIEAT-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622192) is N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CN(C(=O)C1CCCCC1C(F)(F)F)C1CCC(=O)CC1.
What is the InChIKey of N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NYXNDWPOTVIEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-19(10-6-8-11(20)9-7-10)14(21)12-4-2-3-5-13(12)15(16,17)18/h10,12-13H,2-9H2,1H3.
What are the key properties of N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).