4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile

C14H10FNO — CID 67529524

IUPAC4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(F)cc1-c1ccc(CO)cc1
InChIInChI=1S/C14H10FNO/c15-13-6-5-12(8-16)14(7-13)11-3-1-10(9-17)2-4-11/h1-7,17H,9H2
InChIKeyYBNBLTAQLMOWTB-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.86
Rot. Bonds2

About 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile

4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile (PubChem CID 67529524) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile
PubChem CID67529524
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(F)cc1-c1ccc(CO)cc1
InChIInChI=1S/C14H10FNO/c15-13-6-5-12(8-16)14(7-13)11-3-1-10(9-17)2-4-11/h1-7,17H,9H2
InChIKeyYBNBLTAQLMOWTB-UHFFFAOYSA-N
XLogP2.86
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558
2-(2,4-difluorophenyl)-4-fluorobenzonitrile
CID 172989811
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzonitrile
CID 166549498
2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529789
2-fluoro-4-[3-(hydroxymethyl)phenyl]benzonitrile
CID 118042438
4-fluoro-2-(2,3,4,5,6-pentachlorophenyl)benzonitrile
CID 134630053
CID 174159978
CID 174159978
2-[3-(hydroxymethyl)phenyl]-4-(trifluoromethyl)benzonitrile
CID 172989644
4-(hydroxymethyl)-2-methylbenzonitrile
CID 59460759
[4-fluoro-3-(4-fluorophenyl)phenyl]methanol
CID 46312404
4-(2,4-difluorophenyl)-2-hydroxybenzonitrile
CID 53219935

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile (CID 67529524) is 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile is N#Cc1ccc(F)cc1-c1ccc(CO)cc1.
What is the InChIKey of 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile?
The InChIKey is YBNBLTAQLMOWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c15-13-6-5-12(8-16)14(7-13)11-3-1-10(9-17)2-4-11/h1-7,17H,9H2.
What are the key properties of 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile?
4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile is sourced from PubChem (CID 67529524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).