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

C9H14F3NO — CID 115583696

IUPACN-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-13-8(14)6-4-2-3-5-7(6)9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyCGHRQUBIGIHXAK-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.10
Rot. Bonds1

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

N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115583696) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115583696
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-13-8(14)6-4-2-3-5-7(6)9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyCGHRQUBIGIHXAK-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Isopropyl)-N,5-dimethylcyclohexanecarboxamide
CID 3016106
N-methyl-3-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 176432926
N-Methylcyclohexanecarboxamide
CID 3343827
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexanecarboxamide
CID 17386519
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53509297
N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 126792226
2-(Trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
N-(trifluoromethyl)cyclohexanecarboxamide
CID 54530013
2-cyclohexyl-N-(trifluoromethyl)acetamide
CID 67168057
4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide
CID 67382437
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 68084954
4-fluoro-N,3-dimethylcyclohexane-1-carboxamide
CID 69627071

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115583696) is N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is CGHRQUBIGIHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-13-8(14)6-4-2-3-5-7(6)9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 209.21 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115583696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).