cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid

C11H16F3NO3 — CID 98549750

IUPACcis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H16F3NO3/c1-15(6-11(12,13)14)9(16)7-3-2-4-8(5-7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)/t7-,8+/m1/s1
InChIKeyKPPOGPUAFSREML-SFYZADRCSA-N
MW267.25 g/mol
LogP1.90
Rot. Bonds3

About cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid

cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 98549750) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID98549750
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Namecis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H16F3NO3/c1-15(6-11(12,13)14)9(16)7-3-2-4-8(5-7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)/t7-,8+/m1/s1
InChIKeyKPPOGPUAFSREML-SFYZADRCSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 98549750) is cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KPPOGPUAFSREML-SFYZADRCSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-15(6-11(12,13)14)9(16)7-3-2-4-8(5-7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 98549750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).