2-fluoro-1,3-benzoxazole-4-carbonitrile

C8H3FN2O — CID 118816361

IUPAC2-fluoro-1,3-benzoxazole-4-carbonitrile
SMILESN#Cc1cccc2oc(F)nc12
InChIInChI=1S/C8H3FN2O/c9-8-11-7-5(4-10)2-1-3-6(7)12-8/h1-3H
InChIKeyMLPWERJZUPSPHR-UHFFFAOYSA-N
MW162.12 g/mol
LogP1.84
Rot. Bonds

About 2-fluoro-1,3-benzoxazole-4-carbonitrile

2-fluoro-1,3-benzoxazole-4-carbonitrile (PubChem CID 118816361) has the molecular formula C8H3FN2O and a molecular weight of 162.12 g/mol. Its IUPAC name is 2-fluoro-1,3-benzoxazole-4-carbonitrile.

Molecular Properties

Compound Name2-fluoro-1,3-benzoxazole-4-carbonitrile
PubChem CID118816361
Molecular FormulaC8H3FN2O
Molecular Weight162.12 g/mol
Exact Mass162.02
IUPAC Name2-fluoro-1,3-benzoxazole-4-carbonitrile
SMILESN#Cc1cccc2oc(F)nc12
InChIInChI=1S/C8H3FN2O/c9-8-11-7-5(4-10)2-1-3-6(7)12-8/h1-3H
InChIKeyMLPWERJZUPSPHR-UHFFFAOYSA-N
XLogP1.84
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-benzoxazole-4-carbonitrile?
The IUPAC name of 2-fluoro-1,3-benzoxazole-4-carbonitrile (CID 118816361) is 2-fluoro-1,3-benzoxazole-4-carbonitrile.
What is the SMILES notation for 2-fluoro-1,3-benzoxazole-4-carbonitrile?
The canonical SMILES for 2-fluoro-1,3-benzoxazole-4-carbonitrile is N#Cc1cccc2oc(F)nc12.
What is the InChIKey of 2-fluoro-1,3-benzoxazole-4-carbonitrile?
The InChIKey is MLPWERJZUPSPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FN2O/c9-8-11-7-5(4-10)2-1-3-6(7)12-8/h1-3H.
What are the key properties of 2-fluoro-1,3-benzoxazole-4-carbonitrile?
2-fluoro-1,3-benzoxazole-4-carbonitrile has a molecular weight of 162.12 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-benzoxazole-4-carbonitrile is sourced from PubChem (CID 118816361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).