(2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine

C5H8F3N — CID 175613988

IUPAC(2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine
SMILESCC[C@H]1N[C@@H]1C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-4(9-3)5(6,7)8/h3-4,9H,2H2,1H3/t3-,4+/m1/s1
InChIKeyMNNKLTPDYMBXOF-DMTCNVIQSA-N
MW139.12 g/mol
LogP1.30
Rot. Bonds1

About (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine

(2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine (PubChem CID 175613988) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine
PubChem CID175613988
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine
SMILESCC[C@H]1N[C@@H]1C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-4(9-3)5(6,7)8/h3-4,9H,2H2,1H3/t3-,4+/m1/s1
InChIKeyMNNKLTPDYMBXOF-DMTCNVIQSA-N
XLogP1.30
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.30
H-Bond Donors ≤ 51
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 (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine?
The IUPAC name of (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine (CID 175613988) is (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine.
What is the SMILES notation for (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine?
The canonical SMILES for (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine is CC[C@H]1N[C@@H]1C(F)(F)F.
What is the InChIKey of (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine?
The InChIKey is MNNKLTPDYMBXOF-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8F3N/c1-2-3-4(9-3)5(6,7)8/h3-4,9H,2H2,1H3/t3-,4+/m1/s1.
What are the key properties of (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine?
(2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine has a molecular weight of 139.12 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3-(trifluoromethyl)aziridine is sourced from PubChem (CID 175613988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).