4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C15H23F4NO — CID 143001999

IUPAC4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCC(F)C(C(F)(F)F)C1
InChIInChI=1S/C15H23F4NO/c1-9-4-2-3-5-13(9)20-14(21)10-6-7-12(16)11(8-10)15(17,18)19/h9-13H,2-8H2,1H3,(H,20,21)
InChIKeyPKIHMKQIZJVAES-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.00
Rot. Bonds2

About 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 143001999) has the molecular formula C15H23F4NO and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID143001999
Molecular FormulaC15H23F4NO
Molecular Weight309.35 g/mol
Exact Mass309.17
IUPAC Name4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCC(F)C(C(F)(F)F)C1
InChIInChI=1S/C15H23F4NO/c1-9-4-2-3-5-13(9)20-14(21)10-6-7-12(16)11(8-10)15(17,18)19/h9-13H,2-8H2,1H3,(H,20,21)
InChIKeyPKIHMKQIZJVAES-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 143001999) is 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC1CCCCC1NC(=O)C1CCC(F)C(C(F)(F)F)C1.
What is the InChIKey of 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is PKIHMKQIZJVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F4NO/c1-9-4-2-3-5-13(9)20-14(21)10-6-7-12(16)11(8-10)15(17,18)19/h9-13H,2-8H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 143001999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).