(2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine

C10H10F3NO — CID 102100873

IUPAC(2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine
SMILESCOc1ccc([C@]2(C(F)(F)F)CN2)cc1
InChIInChI=1S/C10H10F3NO/c1-15-8-4-2-7(3-5-8)9(6-14-9)10(11,12)13/h2-5,14H,6H2,1H3/t9-/m0/s1
InChIKeyVFLABWYUFCLTBA-VIFPVBQESA-N
MW217.19 g/mol
LogP2.06
Rot. Bonds2

About (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine

(2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine (PubChem CID 102100873) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine
PubChem CID102100873
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine
SMILESCOc1ccc([C@]2(C(F)(F)F)CN2)cc1
InChIInChI=1S/C10H10F3NO/c1-15-8-4-2-7(3-5-8)9(6-14-9)10(11,12)13/h2-5,14H,6H2,1H3/t9-/m0/s1
InChIKeyVFLABWYUFCLTBA-VIFPVBQESA-N
XLogP2.06
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine 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)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine (CID 102100873) is (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine is COc1ccc([C@]2(C(F)(F)F)CN2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine?
The InChIKey is VFLABWYUFCLTBA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10F3NO/c1-15-8-4-2-7(3-5-8)9(6-14-9)10(11,12)13/h2-5,14H,6H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine?
(2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine has a molecular weight of 217.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine is sourced from PubChem (CID 102100873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).