4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide

C9H11F4NO — CID 162577247

IUPAC4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide
SMILESCNC(=O)C1=CCC(F)CC1C(F)(F)F
InChIInChI=1S/C9H11F4NO/c1-14-8(15)6-3-2-5(10)4-7(6)9(11,12)13/h3,5,7H,2,4H2,1H3,(H,14,15)
InChIKeyGPMARPODLOCGBS-UHFFFAOYSA-N
MW225.18 g/mol
LogP1.97
Rot. Bonds1

About 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide

4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide (PubChem CID 162577247) has the molecular formula C9H11F4NO and a molecular weight of 225.18 g/mol. Its IUPAC name is 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide
PubChem CID162577247
Molecular FormulaC9H11F4NO
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC Name4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide
SMILESCNC(=O)C1=CCC(F)CC1C(F)(F)F
InChIInChI=1S/C9H11F4NO/c1-14-8(15)6-3-2-5(10)4-7(6)9(11,12)13/h3,5,7H,2,4H2,1H3,(H,14,15)
InChIKeyGPMARPODLOCGBS-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide (CID 162577247) is 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide is CNC(=O)C1=CCC(F)CC1C(F)(F)F.
What is the InChIKey of 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide?
The InChIKey is GPMARPODLOCGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO/c1-14-8(15)6-3-2-5(10)4-7(6)9(11,12)13/h3,5,7H,2,4H2,1H3,(H,14,15).
What are the key properties of 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide?
4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide has a molecular weight of 225.18 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 162577247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).