(2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide

C11H16F3NO2 — CID 87994654

IUPAC(2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESO=C(NCC1CCCCC1)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)10(7-17-10)9(16)15-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16)/t10-/m1/s1
InChIKeyYIKQVUURWMHYCX-SNVBAGLBSA-N
MW251.25 g/mol
LogP2.01
Rot. Bonds3

About (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide

(2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide (PubChem CID 87994654) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
PubChem CID87994654
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESO=C(NCC1CCCCC1)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)10(7-17-10)9(16)15-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16)/t10-/m1/s1
InChIKeyYIKQVUURWMHYCX-SNVBAGLBSA-N
XLogP2.01
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-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 (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide (CID 87994654) is (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide is O=C(NCC1CCCCC1)[C@@]1(C(F)(F)F)CO1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The InChIKey is YIKQVUURWMHYCX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)10(7-17-10)9(16)15-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
(2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide has a molecular weight of 251.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-2-(trifluoromethyl)oxirane-2-carboxamide is sourced from PubChem (CID 87994654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).