2,3-difluoro-2-(trifluoromethyl)azirine

C3F5N — CID 6420998

IUPAC2,3-difluoro-2-(trifluoromethyl)azirine
SMILESFC1=NC1(F)C(F)(F)F
InChIInChI=1S/C3F5N/c4-1-2(5,9-1)3(6,7)8
InChIKeyGDWLOIPDHPKSST-UHFFFAOYSA-N
MW145.03 g/mol
LogP1.60
Rot. Bonds

About 2,3-difluoro-2-(trifluoromethyl)azirine

2,3-difluoro-2-(trifluoromethyl)azirine (PubChem CID 6420998) has the molecular formula C3F5N and a molecular weight of 145.03 g/mol. Its IUPAC name is 2,3-difluoro-2-(trifluoromethyl)azirine.

Molecular Properties

Compound Name2,3-difluoro-2-(trifluoromethyl)azirine
PubChem CID6420998
Molecular FormulaC3F5N
Molecular Weight145.03 g/mol
Exact Mass145.00
IUPAC Name2,3-difluoro-2-(trifluoromethyl)azirine
SMILESFC1=NC1(F)C(F)(F)F
InChIInChI=1S/C3F5N/c4-1-2(5,9-1)3(6,7)8
InChIKeyGDWLOIPDHPKSST-UHFFFAOYSA-N
XLogP1.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.03
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine
CID 88698110
2,2,3,3,4,4,5,5,6-nonafluoropyridine
CID 11021153
3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine
CID 15322150
2,4,4,6-tetrafluoro-1H-1,3,5-triazine
CID 45090596
1,3-difluoro-2,3,4,4-tetrakis(trifluoromethyl)cyclobutene
CID 154989601
2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 12566761
2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine
CID 162536645
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane
CID 88806800
ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
CID 145102025
3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 151338692
3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine
CID 133054743
3,3,4,5-tetrafluoro-2,2-bis(trifluoromethyl)furan
CID 139601556

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2-(trifluoromethyl)azirine?
The IUPAC name of 2,3-difluoro-2-(trifluoromethyl)azirine (CID 6420998) is 2,3-difluoro-2-(trifluoromethyl)azirine.
What is the SMILES notation for 2,3-difluoro-2-(trifluoromethyl)azirine?
The canonical SMILES for 2,3-difluoro-2-(trifluoromethyl)azirine is FC1=NC1(F)C(F)(F)F.
What is the InChIKey of 2,3-difluoro-2-(trifluoromethyl)azirine?
The InChIKey is GDWLOIPDHPKSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F5N/c4-1-2(5,9-1)3(6,7)8.
What are the key properties of 2,3-difluoro-2-(trifluoromethyl)azirine?
2,3-difluoro-2-(trifluoromethyl)azirine has a molecular weight of 145.03 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2-(trifluoromethyl)azirine is sourced from PubChem (CID 6420998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).