(2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine

C5H8F3N — CID 88974867

IUPAC(2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine
SMILESCN1C[C@@H]1CC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-9-3-4(9)2-5(6,7)8/h4H,2-3H2,1H3/t4-,9?/m0/s1
InChIKeyHEDOGIOTGUCOLQ-HBSVBABPSA-N
MW139.12 g/mol
LogP1.25
Rot. Bonds1

About (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine

(2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine (PubChem CID 88974867) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine
PubChem CID88974867
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine
SMILESCN1C[C@@H]1CC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-9-3-4(9)2-5(6,7)8/h4H,2-3H2,1H3/t4-,9?/m0/s1
InChIKeyHEDOGIOTGUCOLQ-HBSVBABPSA-N
XLogP1.25
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine?
The IUPAC name of (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine (CID 88974867) is (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine.
What is the SMILES notation for (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine?
The canonical SMILES for (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine is CN1C[C@@H]1CC(F)(F)F.
What is the InChIKey of (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine?
The InChIKey is HEDOGIOTGUCOLQ-HBSVBABPSA-N. The full InChI is InChI=1S/C5H8F3N/c1-9-3-4(9)2-5(6,7)8/h4H,2-3H2,1H3/t4-,9?/m0/s1.
What are the key properties of (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine?
(2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine has a molecular weight of 139.12 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine is sourced from PubChem (CID 88974867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).