cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C10H13F3N2O — CID 130285017

IUPACcis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESN#C[C@H]1CCC[C@@H](C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)6-15-9(16)8-3-1-2-7(4-8)5-14/h7-8H,1-4,6H2,(H,15,16)/t7-,8+/m0/s1
InChIKeyMKYPYUPYTBFNQO-JGVFFNPUSA-N
MW234.22 g/mol
LogP1.99
Rot. Bonds2

About cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 130285017) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID130285017
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Namecis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESN#C[C@H]1CCC[C@@H](C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)6-15-9(16)8-3-1-2-7(4-8)5-14/h7-8H,1-4,6H2,(H,15,16)/t7-,8+/m0/s1
InChIKeyMKYPYUPYTBFNQO-JGVFFNPUSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide 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-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 130285017) is cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is N#C[C@H]1CCC[C@@H](C(=O)NCC(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is MKYPYUPYTBFNQO-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)6-15-9(16)8-3-1-2-7(4-8)5-14/h7-8H,1-4,6H2,(H,15,16)/t7-,8+/m0/s1.
What are the key properties of cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 234.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 130285017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).