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

C5H8F3N — CID 88974868

IUPAC(2R)-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?/m1/s1
InChIKeyHEDOGIOTGUCOLQ-UGZZBTRQSA-N
MW139.12 g/mol
LogP1.25
Rot. Bonds1

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

(2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine (PubChem CID 88974868) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine.

Molecular Properties

Compound Name(2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine
PubChem CID88974868
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(2R)-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?/m1/s1
InChIKeyHEDOGIOTGUCOLQ-UGZZBTRQSA-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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Related Compounds

1-Methyl-2-(trifluoromethyl)aziridine
CID 14965861
N-methyl-N-(trifluoromethyl)cyclopropanamine
CID 20505660
(2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine
CID 59459568
(2R)-N-methyl-N-(trifluoromethyl)butan-2-amine
CID 88866203
(2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine
CID 88974867
1,1,1-trifluoro-N,N-dimethylbutan-2-amine
CID 88991095
(2R)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine
CID 89296894
1,1,1-trifluoro-N,N-dimethylpentan-2-amine
CID 116914306
4,4-difluoro-N,N-dimethylbutan-2-amine
CID 117737937
4,4,4-trifluoro-N,N-dimethylbutan-2-amine
CID 117738037
1-(2,2-Difluoroethyl)-2-methylaziridine
CID 126663981
2-(2-Fluoroethyl)-1-methylaziridine
CID 129082613

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine?
The IUPAC name of (2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine (CID 88974868) is (2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine.
What is the SMILES notation for (2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine?
The canonical SMILES for (2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine is CN1C[C@H]1CC(F)(F)F.
What is the InChIKey of (2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine?
The InChIKey is HEDOGIOTGUCOLQ-UGZZBTRQSA-N. The full InChI is InChI=1S/C5H8F3N/c1-9-3-4(9)2-5(6,7)8/h4H,2-3H2,1H3/t4-,9?/m1/s1.
What are the key properties of (2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine?
(2R)-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 (2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine is sourced from PubChem (CID 88974868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).