2,2,3-trifluoro-3-(trifluoromethyl)aziridine

C3HF6N — CID 12961687

IUPAC2,2,3-trifluoro-3-(trifluoromethyl)aziridine
SMILESFC(F)(F)C1(F)NC1(F)F
InChIInChI=1S/C3HF6N/c4-1(2(5,6)7)3(8,9)10-1/h10H
InChIKeyHYQGUBPFUKDJQU-UHFFFAOYSA-N
MW165.04 g/mol
LogP1.41
Rot. Bonds

About 2,2,3-trifluoro-3-(trifluoromethyl)aziridine

2,2,3-trifluoro-3-(trifluoromethyl)aziridine (PubChem CID 12961687) has the molecular formula C3HF6N and a molecular weight of 165.04 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(trifluoromethyl)aziridine.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(trifluoromethyl)aziridine
PubChem CID12961687
Molecular FormulaC3HF6N
Molecular Weight165.04 g/mol
Exact Mass165.00
IUPAC Name2,2,3-trifluoro-3-(trifluoromethyl)aziridine
SMILESFC(F)(F)C1(F)NC1(F)F
InChIInChI=1S/C3HF6N/c4-1(2(5,6)7)3(8,9)10-1/h10H
InChIKeyHYQGUBPFUKDJQU-UHFFFAOYSA-N
XLogP1.41
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.04
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(trifluoromethyl)aziridine?
The IUPAC name of 2,2,3-trifluoro-3-(trifluoromethyl)aziridine (CID 12961687) is 2,2,3-trifluoro-3-(trifluoromethyl)aziridine.
What is the SMILES notation for 2,2,3-trifluoro-3-(trifluoromethyl)aziridine?
The canonical SMILES for 2,2,3-trifluoro-3-(trifluoromethyl)aziridine is FC(F)(F)C1(F)NC1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(trifluoromethyl)aziridine?
The InChIKey is HYQGUBPFUKDJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6N/c4-1(2(5,6)7)3(8,9)10-1/h10H.
What are the key properties of 2,2,3-trifluoro-3-(trifluoromethyl)aziridine?
2,2,3-trifluoro-3-(trifluoromethyl)aziridine has a molecular weight of 165.04 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(trifluoromethyl)aziridine is sourced from PubChem (CID 12961687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).