(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine

C14H10FN — CID 138980263

IUPAC(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine
SMILESFc1ccc([C@@H]2N=C2c2ccccc2)cc1
InChIInChI=1S/C14H10FN/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,14H/t14-/m0/s1
InChIKeyQUZGXGSUVSNUKS-AWEZNQCLSA-N
MW211.24 g/mol
LogP3.37
Rot. Bonds2

About (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine

(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine (PubChem CID 138980263) has the molecular formula C14H10FN and a molecular weight of 211.24 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine
PubChem CID138980263
Molecular FormulaC14H10FN
Molecular Weight211.24 g/mol
Exact Mass211.08
IUPAC Name(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine
SMILESFc1ccc([C@@H]2N=C2c2ccccc2)cc1
InChIInChI=1S/C14H10FN/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,14H/t14-/m0/s1
InChIKeyQUZGXGSUVSNUKS-AWEZNQCLSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine (CID 138980263) is (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine is Fc1ccc([C@@H]2N=C2c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine?
The InChIKey is QUZGXGSUVSNUKS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H10FN/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,14H/t14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine?
(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine has a molecular weight of 211.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine is sourced from PubChem (CID 138980263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).