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

C8H3FN2O — CID 119083065

IUPAC6-fluoro-1,3-benzoxazole-2-carbonitrile
SMILESN#Cc1nc2ccc(F)cc2o1
InChIInChI=1S/C8H3FN2O/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H
InChIKeyAYBKKPSVXADPNJ-UHFFFAOYSA-N
MW162.12 g/mol
LogP1.84
Rot. Bonds

About 6-fluoro-1,3-benzoxazole-2-carbonitrile

6-fluoro-1,3-benzoxazole-2-carbonitrile (PubChem CID 119083065) has the molecular formula C8H3FN2O and a molecular weight of 162.12 g/mol. Its IUPAC name is 6-fluoro-1,3-benzoxazole-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-1,3-benzoxazole-2-carbonitrile
PubChem CID119083065
Molecular FormulaC8H3FN2O
Molecular Weight162.12 g/mol
Exact Mass162.02
IUPAC Name6-fluoro-1,3-benzoxazole-2-carbonitrile
SMILESN#Cc1nc2ccc(F)cc2o1
InChIInChI=1S/C8H3FN2O/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H
InChIKeyAYBKKPSVXADPNJ-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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Related Compounds

6-(methylamino)-1,3-benzoxazole-2-carbonitrile
CID 46908315
N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine
CID 171996610
(2-cyano-1,3-benzoxazol-6-yl)methyl-triphenylphosphanium bromide
CID 19994785
2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 63676578
6-fluoro-N-propyl-1,3-benzoxazol-2-amine
CID 123750447
6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine
CID 63675606
1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-1-amine
CID 63676371
4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde
CID 142573895
6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
CID 163357218
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one
CID 112710878
6-fluoro-2-(4-methylidenepiperidin-1-yl)-1,3-benzoxazole
CID 172901646

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-benzoxazole-2-carbonitrile?
The IUPAC name of 6-fluoro-1,3-benzoxazole-2-carbonitrile (CID 119083065) is 6-fluoro-1,3-benzoxazole-2-carbonitrile.
What is the SMILES notation for 6-fluoro-1,3-benzoxazole-2-carbonitrile?
The canonical SMILES for 6-fluoro-1,3-benzoxazole-2-carbonitrile is N#Cc1nc2ccc(F)cc2o1.
What is the InChIKey of 6-fluoro-1,3-benzoxazole-2-carbonitrile?
The InChIKey is AYBKKPSVXADPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FN2O/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H.
What are the key properties of 6-fluoro-1,3-benzoxazole-2-carbonitrile?
6-fluoro-1,3-benzoxazole-2-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 6-fluoro-1,3-benzoxazole-2-carbonitrile is sourced from PubChem (CID 119083065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).