(2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine

C7H12F3N — CID 59459568

IUPAC(2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine
SMILESCC(C)N1C[C@@H]1CC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)11-4-6(11)3-7(8,9)10/h5-6H,3-4H2,1-2H3/t6-,11?/m0/s1
InChIKeyUKFAIKHSMKZKKH-OCAOPBLFSA-N
MW167.17 g/mol
LogP2.03
Rot. Bonds2

About (2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine

(2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine (PubChem CID 59459568) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine.

Molecular Properties

Compound Name(2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine
PubChem CID59459568
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine
SMILESCC(C)N1C[C@@H]1CC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)11-4-6(11)3-7(8,9)10/h5-6H,3-4H2,1-2H3/t6-,11?/m0/s1
InChIKeyUKFAIKHSMKZKKH-OCAOPBLFSA-N
XLogP2.03
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.03
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-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine?
The IUPAC name of (2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine (CID 59459568) is (2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine.
What is the SMILES notation for (2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine?
The canonical SMILES for (2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine is CC(C)N1C[C@@H]1CC(F)(F)F.
What is the InChIKey of (2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine?
The InChIKey is UKFAIKHSMKZKKH-OCAOPBLFSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5(2)11-4-6(11)3-7(8,9)10/h5-6H,3-4H2,1-2H3/t6-,11?/m0/s1.
What are the key properties of (2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine?
(2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine has a molecular weight of 167.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine is sourced from PubChem (CID 59459568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).