1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C14H16F3NO — CID 23027311

IUPAC1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-6-4-10(5-7-11)13(12(18)19)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H2,18,19)
InChIKeyMNPOHXGGKZAGSB-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.39
Rot. Bonds2

About 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 23027311) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID23027311
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-6-4-10(5-7-11)13(12(18)19)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H2,18,19)
InChIKeyMNPOHXGGKZAGSB-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 23027311) is 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCCCC1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is MNPOHXGGKZAGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)11-6-4-10(5-7-11)13(12(18)19)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H2,18,19).
What are the key properties of 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 23027311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).