2,2-difluoro-3,3-bis(trifluoromethyl)aziridine

C4HF8N — CID 550488

IUPAC2,2-difluoro-3,3-bis(trifluoromethyl)aziridine
SMILESFC(F)(F)C1(C(F)(F)F)NC1(F)F
InChIInChI=1S/C4HF8N/c5-2(6,7)1(3(8,9)10)4(11,12)13-1/h13H
InChIKeyGXNLMLNWROJSFV-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.05
Rot. Bonds

About 2,2-difluoro-3,3-bis(trifluoromethyl)aziridine

2,2-difluoro-3,3-bis(trifluoromethyl)aziridine (PubChem CID 550488) has the molecular formula C4HF8N and a molecular weight of 215.04 g/mol. Its IUPAC name is 2,2-difluoro-3,3-bis(trifluoromethyl)aziridine.

Molecular Properties

Compound Name2,2-difluoro-3,3-bis(trifluoromethyl)aziridine
PubChem CID550488
Molecular FormulaC4HF8N
Molecular Weight215.04 g/mol
Exact Mass215.00
IUPAC Name2,2-difluoro-3,3-bis(trifluoromethyl)aziridine
SMILESFC(F)(F)C1(C(F)(F)F)NC1(F)F
InChIInChI=1S/C4HF8N/c5-2(6,7)1(3(8,9)10)4(11,12)13-1/h13H
InChIKeyGXNLMLNWROJSFV-UHFFFAOYSA-N
XLogP2.05
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.05
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-difluoro-3,3-bis(trifluoromethyl)aziridine?
The IUPAC name of 2,2-difluoro-3,3-bis(trifluoromethyl)aziridine (CID 550488) is 2,2-difluoro-3,3-bis(trifluoromethyl)aziridine.
What is the SMILES notation for 2,2-difluoro-3,3-bis(trifluoromethyl)aziridine?
The canonical SMILES for 2,2-difluoro-3,3-bis(trifluoromethyl)aziridine is FC(F)(F)C1(C(F)(F)F)NC1(F)F.
What is the InChIKey of 2,2-difluoro-3,3-bis(trifluoromethyl)aziridine?
The InChIKey is GXNLMLNWROJSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF8N/c5-2(6,7)1(3(8,9)10)4(11,12)13-1/h13H.
What are the key properties of 2,2-difluoro-3,3-bis(trifluoromethyl)aziridine?
2,2-difluoro-3,3-bis(trifluoromethyl)aziridine has a molecular weight of 215.04 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-bis(trifluoromethyl)aziridine is sourced from PubChem (CID 550488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).