2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile

C10H9F2NO — CID 130134583

IUPAC2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile
SMILESCCC(C#N)c1ccc(O)c(F)c1F
InChIInChI=1S/C10H9F2NO/c1-2-6(5-13)7-3-4-8(14)10(12)9(7)11/h3-4,6,14H,2H2,1H3
InChIKeyWBACVLWWCIUBPK-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.69
Rot. Bonds2

About 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile

2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile (PubChem CID 130134583) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile.

Molecular Properties

Compound Name2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile
PubChem CID130134583
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile
SMILESCCC(C#N)c1ccc(O)c(F)c1F
InChIInChI=1S/C10H9F2NO/c1-2-6(5-13)7-3-4-8(14)10(12)9(7)11/h3-4,6,14H,2H2,1H3
InChIKeyWBACVLWWCIUBPK-UHFFFAOYSA-N
XLogP2.69
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile?
The IUPAC name of 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile (CID 130134583) is 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile.
What is the SMILES notation for 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile?
The canonical SMILES for 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile is CCC(C#N)c1ccc(O)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile?
The InChIKey is WBACVLWWCIUBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-2-6(5-13)7-3-4-8(14)10(12)9(7)11/h3-4,6,14H,2H2,1H3.
What are the key properties of 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile?
2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile has a molecular weight of 197.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile is sourced from PubChem (CID 130134583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).