2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile

C11H12FNO2 — CID 107719599

IUPAC2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile
SMILESCC(C#N)Oc1ccc(C(C)O)c(F)c1
InChIInChI=1S/C11H12FNO2/c1-7(6-13)15-9-3-4-10(8(2)14)11(12)5-9/h3-5,7-8,14H,1-2H3
InChIKeyWPEHAJSVPIPGNK-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.17
Rot. Bonds3

About 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile

2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile (PubChem CID 107719599) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile.

Molecular Properties

Compound Name2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile
PubChem CID107719599
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile
SMILESCC(C#N)Oc1ccc(C(C)O)c(F)c1
InChIInChI=1S/C11H12FNO2/c1-7(6-13)15-9-3-4-10(8(2)14)11(12)5-9/h3-5,7-8,14H,1-2H3
InChIKeyWPEHAJSVPIPGNK-UHFFFAOYSA-N
XLogP2.17
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)propanenitrile
CID 60666917
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298
2-(3-bromo-4-fluorophenoxy)propanenitrile
CID 83233217
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanenitrile
CID 82000965
ethyl 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 107720057
3-fluoro-4-(1-hydroxyethyl)benzonitrile
CID 130733695
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanenitrile
CID 63651183
2-[2-(1-hydroxyethyl)-5-methylphenoxy]propanenitrile
CID 63650742
5-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-2,2-dimethylpentanenitrile
CID 107720244
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719457

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile?
The IUPAC name of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile (CID 107719599) is 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile.
What is the SMILES notation for 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile?
The canonical SMILES for 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile is CC(C#N)Oc1ccc(C(C)O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile?
The InChIKey is WPEHAJSVPIPGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-7(6-13)15-9-3-4-10(8(2)14)11(12)5-9/h3-5,7-8,14H,1-2H3.
What are the key properties of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile?
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile has a molecular weight of 209.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile is sourced from PubChem (CID 107719599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).