3-(5-fluoro-2-hydroxyphenyl)propanenitrile

C9H8FNO — CID 130883570

IUPAC3-(5-fluoro-2-hydroxyphenyl)propanenitrile
SMILESN#CCCc1cc(F)ccc1O
InChIInChI=1S/C9H8FNO/c10-8-3-4-9(12)7(6-8)2-1-5-11/h3-4,6,12H,1-2H2
InChIKeyWTAFTGCKYYOJQB-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.99
Rot. Bonds2

About 3-(5-fluoro-2-hydroxyphenyl)propanenitrile

3-(5-fluoro-2-hydroxyphenyl)propanenitrile (PubChem CID 130883570) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydroxyphenyl)propanenitrile.

Molecular Properties

Compound Name3-(5-fluoro-2-hydroxyphenyl)propanenitrile
PubChem CID130883570
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name3-(5-fluoro-2-hydroxyphenyl)propanenitrile
SMILESN#CCCc1cc(F)ccc1O
InChIInChI=1S/C9H8FNO/c10-8-3-4-9(12)7(6-8)2-1-5-11/h3-4,6,12H,1-2H2
InChIKeyWTAFTGCKYYOJQB-UHFFFAOYSA-N
XLogP1.99
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-fluorophenyl)propanenitrile
CID 53434281
3-(2-hydroxy-5-methoxyphenyl)propanenitrile
CID 130773609
3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile
CID 118848555
3-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84778473
4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
CID 142279599
3-(2,4,6-trihydroxyphenyl)propanenitrile
CID 130034058
2-(aminooxymethyl)-4-fluorophenol
CID 117276071
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
3-(5-chloro-2-fluorophenyl)propanenitrile
CID 82468446
S-(hydroxymethyl) 4-(5-fluoro-2-hydroxyphenyl)butanethioate
CID 145188559
2-(5-fluoro-2-hydroxyanilino)ethene-1,1,2-tricarbonitrile
CID 168606201
3-[(5-fluoro-2-methylphenyl)methylamino]propanenitrile
CID 107168016

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)propanenitrile?
The IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)propanenitrile (CID 130883570) is 3-(5-fluoro-2-hydroxyphenyl)propanenitrile.
What is the SMILES notation for 3-(5-fluoro-2-hydroxyphenyl)propanenitrile?
The canonical SMILES for 3-(5-fluoro-2-hydroxyphenyl)propanenitrile is N#CCCc1cc(F)ccc1O.
What is the InChIKey of 3-(5-fluoro-2-hydroxyphenyl)propanenitrile?
The InChIKey is WTAFTGCKYYOJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-8-3-4-9(12)7(6-8)2-1-5-11/h3-4,6,12H,1-2H2.
What are the key properties of 3-(5-fluoro-2-hydroxyphenyl)propanenitrile?
3-(5-fluoro-2-hydroxyphenyl)propanenitrile has a molecular weight of 165.17 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydroxyphenyl)propanenitrile is sourced from PubChem (CID 130883570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).