2,2,3,3-tetrafluoroaziridine

C2HF4N — CID 88718865

IUPAC2,2,3,3-tetrafluoroaziridine
SMILESFC1(F)NC1(F)F
InChIInChI=1S/C2HF4N/c3-1(4)2(5,6)7-1/h7H
InChIKeyCCPCLKFQXJHQPC-UHFFFAOYSA-N
MW115.03 g/mol
LogP0.78
Rot. Bonds

About 2,2,3,3-tetrafluoroaziridine

2,2,3,3-tetrafluoroaziridine (PubChem CID 88718865) has the molecular formula C2HF4N and a molecular weight of 115.03 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoroaziridine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoroaziridine
PubChem CID88718865
Molecular FormulaC2HF4N
Molecular Weight115.03 g/mol
Exact Mass115.00
IUPAC Name2,2,3,3-tetrafluoroaziridine
SMILESFC1(F)NC1(F)F
InChIInChI=1S/C2HF4N/c3-1(4)2(5,6)7-1/h7H
InChIKeyCCPCLKFQXJHQPC-UHFFFAOYSA-N
XLogP0.78
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.03
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoroaziridine?
The IUPAC name of 2,2,3,3-tetrafluoroaziridine (CID 88718865) is 2,2,3,3-tetrafluoroaziridine.
What is the SMILES notation for 2,2,3,3-tetrafluoroaziridine?
The canonical SMILES for 2,2,3,3-tetrafluoroaziridine is FC1(F)NC1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoroaziridine?
The InChIKey is CCPCLKFQXJHQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF4N/c3-1(4)2(5,6)7-1/h7H.
What are the key properties of 2,2,3,3-tetrafluoroaziridine?
2,2,3,3-tetrafluoroaziridine has a molecular weight of 115.03 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoroaziridine is sourced from PubChem (CID 88718865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).