2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile

C8H5F2NO — CID 118815281

IUPAC2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile
SMILESN#CCc1cc(O)cc(F)c1F
InChIInChI=1S/C8H5F2NO/c9-7-4-6(12)3-5(1-2-11)8(7)10/h3-4,12H,1H2
InChIKeyLSISQUDJJLUZLL-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.74
Rot. Bonds1

About 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile

2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile (PubChem CID 118815281) has the molecular formula C8H5F2NO and a molecular weight of 169.13 g/mol. Its IUPAC name is 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile
PubChem CID118815281
Molecular FormulaC8H5F2NO
Molecular Weight169.13 g/mol
Exact Mass169.03
IUPAC Name2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile
SMILESN#CCc1cc(O)cc(F)c1F
InChIInChI=1S/C8H5F2NO/c9-7-4-6(12)3-5(1-2-11)8(7)10/h3-4,12H,1H2
InChIKeyLSISQUDJJLUZLL-UHFFFAOYSA-N
XLogP1.74
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2,3-difluorophenyl)acetonitrile
CID 84795160
3-(cyanomethyl)-4,5-difluorobenzonitrile
CID 130868477
3-ethyl-4,5-difluorophenol
CID 147335111
2-(3-chloro-2,4,5-trifluorophenyl)acetonitrile
CID 115111003
3,4,5-trifluorophenol
CID 2777943
2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793433
2-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)acetonitrile
CID 117288174
2-(2-chloro-5-hydroxy-3-methylphenyl)acetonitrile
CID 84768636
2-(5-bromo-4-fluoro-2,3-dihydroxyphenyl)acetonitrile
CID 84802980
2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793428
2-(2-fluoro-3,5-dimethylphenyl)acetonitrile
CID 84764644
2-(4-fluoro-5-hydroxy-2-methoxyphenyl)acetonitrile
CID 117278527

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile (CID 118815281) is 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile is N#CCc1cc(O)cc(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile?
The InChIKey is LSISQUDJJLUZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO/c9-7-4-6(12)3-5(1-2-11)8(7)10/h3-4,12H,1H2.
What are the key properties of 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile?
2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile has a molecular weight of 169.13 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-5-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 118815281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).