2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile

C10H9ClFNO — CID 130134520

IUPAC2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile
SMILESCCC(C#N)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C10H9ClFNO/c1-2-6(5-13)7-3-8(11)9(12)4-10(7)14/h3-4,6,14H,2H2,1H3
InChIKeyIIVWAXUYXFSPHK-UHFFFAOYSA-N
MW213.64 g/mol
LogP3.20
Rot. Bonds2

About 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile

2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile (PubChem CID 130134520) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile.

Molecular Properties

Compound Name2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile
PubChem CID130134520
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile
SMILESCCC(C#N)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C10H9ClFNO/c1-2-6(5-13)7-3-8(11)9(12)4-10(7)14/h3-4,6,14H,2H2,1H3
InChIKeyIIVWAXUYXFSPHK-UHFFFAOYSA-N
XLogP3.20
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
2-(2,3-difluoro-4-hydroxyphenyl)butanenitrile
CID 130134583
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
2-(5-ethyl-2-hydroxyphenyl)butanenitrile
CID 130134665
2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
2-(2,3-dichlorophenyl)butanenitrile
CID 89480048
2-(4-chloro-2,5-difluorobenzoyl)pentanenitrile
CID 82771599
2-(2-amino-3-fluorophenyl)butanenitrile
CID 130134706
2-(1-cyanopropyl)-6-fluorobenzonitrile
CID 130134605
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
2-(4-amino-3,5-difluorophenyl)butanenitrile
CID 130134726
2-[(4-chloro-3-fluorophenyl)-hydroxymethyl]butanenitrile
CID 79132214

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile?
The IUPAC name of 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile (CID 130134520) is 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile.
What is the SMILES notation for 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile?
The canonical SMILES for 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile is CCC(C#N)c1cc(Cl)c(F)cc1O.
What is the InChIKey of 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile?
The InChIKey is IIVWAXUYXFSPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-2-6(5-13)7-3-8(11)9(12)4-10(7)14/h3-4,6,14H,2H2,1H3.
What are the key properties of 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile?
2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile has a molecular weight of 213.64 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile is sourced from PubChem (CID 130134520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).