[3-(2H-azirin-2-yl)-5-fluorophenyl]methanol

C9H8FNO — CID 137431122

IUPAC[3-(2H-azirin-2-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(C2C=N2)c1
InChIInChI=1S/C9H8FNO/c10-8-2-6(5-12)1-7(3-8)9-4-11-9/h1-4,9,12H,5H2
InChIKeyYSXDRMILWZMBNV-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.44
Rot. Bonds2

About [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol

[3-(2H-azirin-2-yl)-5-fluorophenyl]methanol (PubChem CID 137431122) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(2H-azirin-2-yl)-5-fluorophenyl]methanol
PubChem CID137431122
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name[3-(2H-azirin-2-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(C2C=N2)c1
InChIInChI=1S/C9H8FNO/c10-8-2-6(5-12)1-7(3-8)9-4-11-9/h1-4,9,12H,5H2
InChIKeyYSXDRMILWZMBNV-UHFFFAOYSA-N
XLogP1.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol?
The IUPAC name of [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol (CID 137431122) is [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol is OCc1cc(F)cc(C2C=N2)c1.
What is the InChIKey of [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol?
The InChIKey is YSXDRMILWZMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-8-2-6(5-12)1-7(3-8)9-4-11-9/h1-4,9,12H,5H2.
What are the key properties of [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol?
[3-(2H-azirin-2-yl)-5-fluorophenyl]methanol has a molecular weight of 165.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2H-azirin-2-yl)-5-fluorophenyl]methanol is sourced from PubChem (CID 137431122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).