2-(trifluoromethyl)cyclohexane-1-carboxamide

C8H12F3NO — CID 4206055

IUPAC2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H2,12,13)
InChIKeyCDCYMOKNHVVHHL-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.84
Rot. Bonds1

About 2-(trifluoromethyl)cyclohexane-1-carboxamide

2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 4206055) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID4206055
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H2,12,13)
InChIKeyCDCYMOKNHVVHHL-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide
CID 154876152
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105107408
cis-methyl (1S,2R)-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 129381648
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113224088
3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
CID 114192888
N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737026
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107845636
azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115583695
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 103857587
N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622537
2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622247

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 4206055) is 2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)cyclohexane-1-carboxamide is NC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is CDCYMOKNHVVHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H2,12,13).
What are the key properties of 2-(trifluoromethyl)cyclohexane-1-carboxamide?
2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 195.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 4206055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).