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

C9H11F4NO — CID 147682958

IUPAC(6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide
SMILESCNC(=O)C1=CCC(F)C[C@@H]1C(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)/t5?,7-/m0/s1
InChIKeyGPMARPODLOCGBS-MSZQBOFLSA-N
MW225.18 g/mol
LogP1.97
Rot. Bonds1

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

(6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide (PubChem CID 147682958) has the molecular formula C9H11F4NO and a molecular weight of 225.18 g/mol. Its IUPAC name is (6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name(6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide
PubChem CID147682958
Molecular FormulaC9H11F4NO
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC Name(6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide
SMILESCNC(=O)C1=CCC(F)C[C@@H]1C(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)/t5?,7-/m0/s1
InChIKeyGPMARPODLOCGBS-MSZQBOFLSA-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 (6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide?
The IUPAC name of (6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide (CID 147682958) is (6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide.
What is the SMILES notation for (6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide?
The canonical SMILES for (6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide is CNC(=O)C1=CCC(F)C[C@@H]1C(F)(F)F.
What is the InChIKey of (6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide?
The InChIKey is GPMARPODLOCGBS-MSZQBOFLSA-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)/t5?,7-/m0/s1.
What are the key properties of (6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide?
(6S)-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 (6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 147682958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).