2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile

C10H10FNO2 — CID 107690970

IUPAC2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile
SMILESCC(C#N)Oc1ccc(CO)cc1F
InChIInChI=1S/C10H10FNO2/c1-7(5-12)14-10-3-2-8(6-13)4-9(10)11/h2-4,7,13H,6H2,1H3
InChIKeyLTGNIYHMDZRYCK-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.61
Rot. Bonds3

About 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile

2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile (PubChem CID 107690970) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile.

Molecular Properties

Compound Name2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile
PubChem CID107690970
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile
SMILESCC(C#N)Oc1ccc(CO)cc1F
InChIInChI=1S/C10H10FNO2/c1-7(5-12)14-10-3-2-8(6-13)4-9(10)11/h2-4,7,13H,6H2,1H3
InChIKeyLTGNIYHMDZRYCK-UHFFFAOYSA-N
XLogP1.61
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 107690685
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 107690610
2-[4-(chloromethyl)-2-fluorophenoxy]butanenitrile
CID 107691257
2-[4-(2-aminoethyl)-2-fluorophenoxy]butanenitrile
CID 107692608
[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol
CID 63540052
2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile
CID 107695075
[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile?
The IUPAC name of 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile (CID 107690970) is 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile.
What is the SMILES notation for 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile?
The canonical SMILES for 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile is CC(C#N)Oc1ccc(CO)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile?
The InChIKey is LTGNIYHMDZRYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-7(5-12)14-10-3-2-8(6-13)4-9(10)11/h2-4,7,13H,6H2,1H3.
What are the key properties of 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile?
2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile has a molecular weight of 195.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile is sourced from PubChem (CID 107690970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).