3-fluoro-5-(hydroxymethyl)benzonitrile

C8H6FNO — CID 68662252

IUPAC3-fluoro-5-(hydroxymethyl)benzonitrile
SMILESN#Cc1cc(F)cc(CO)c1
InChIInChI=1S/C8H6FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2
InChIKeyTVHYRQVLUQAAOV-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.19
Rot. Bonds1

About 3-fluoro-5-(hydroxymethyl)benzonitrile

3-fluoro-5-(hydroxymethyl)benzonitrile (PubChem CID 68662252) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 3-fluoro-5-(hydroxymethyl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(hydroxymethyl)benzonitrile
PubChem CID68662252
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name3-fluoro-5-(hydroxymethyl)benzonitrile
SMILESN#Cc1cc(F)cc(CO)c1
InChIInChI=1S/C8H6FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2
InChIKeyTVHYRQVLUQAAOV-UHFFFAOYSA-N
XLogP1.19
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(hydroxymethyl)benzonitrile?
The IUPAC name of 3-fluoro-5-(hydroxymethyl)benzonitrile (CID 68662252) is 3-fluoro-5-(hydroxymethyl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(hydroxymethyl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(hydroxymethyl)benzonitrile is N#Cc1cc(F)cc(CO)c1.
What is the InChIKey of 3-fluoro-5-(hydroxymethyl)benzonitrile?
The InChIKey is TVHYRQVLUQAAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2.
What are the key properties of 3-fluoro-5-(hydroxymethyl)benzonitrile?
3-fluoro-5-(hydroxymethyl)benzonitrile has a molecular weight of 151.14 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(hydroxymethyl)benzonitrile is sourced from PubChem (CID 68662252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).