3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine

C6F11N — CID 15322150

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine
SMILESFC(F)(F)C(F)(F)C1=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F11N/c7-3(8,6(15,16)17)1-2(18-1,4(9,10)11)5(12,13)14
InChIKeyUOTROHJDWINTAD-UHFFFAOYSA-N
MW295.05 g/mol
LogP3.50
Rot. Bonds1

About 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine

3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine (PubChem CID 15322150) has the molecular formula C6F11N and a molecular weight of 295.05 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine
PubChem CID15322150
Molecular FormulaC6F11N
Molecular Weight295.05 g/mol
Exact Mass294.99
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine
SMILESFC(F)(F)C(F)(F)C1=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F11N/c7-3(8,6(15,16)17)1-2(18-1,4(9,10)11)5(12,13)14
InChIKeyUOTROHJDWINTAD-UHFFFAOYSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.05
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine (CID 15322150) is 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine is FC(F)(F)C(F)(F)C1=NC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine?
The InChIKey is UOTROHJDWINTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F11N/c7-3(8,6(15,16)17)1-2(18-1,4(9,10)11)5(12,13)14.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine?
3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine has a molecular weight of 295.05 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)azirine is sourced from PubChem (CID 15322150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).