2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile

C14H10FNO — CID 67529789

IUPAC2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
SMILESN#Cc1c(F)cccc1-c1ccc(CO)cc1
InChIInChI=1S/C14H10FNO/c15-14-3-1-2-12(13(14)8-16)11-6-4-10(9-17)5-7-11/h1-7,17H,9H2
InChIKeyKOJWMKNCVWNVFO-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.86
Rot. Bonds2

About 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile

2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile (PubChem CID 67529789) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
PubChem CID67529789
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
SMILESN#Cc1c(F)cccc1-c1ccc(CO)cc1
InChIInChI=1S/C14H10FNO/c15-14-3-1-2-12(13(14)8-16)11-6-4-10(9-17)5-7-11/h1-7,17H,9H2
InChIKeyKOJWMKNCVWNVFO-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

PF-998425
CID 25093231
(1,1'-Biphenyl)-4-methanol
CID 19186
p-Cyanobenzyl alcohol
CID 160549
2-Benzylbenzyl alcohol
CID 74109
4-(2-Hydroxycyclohexyl)-2-(trifluoromethyl)benzonitrile
CID 25093229
Bis(4-cyanophenyl)methanol
CID 10466550
(1,1'-Biphenyl)-2,2'-dimethanol
CID 243265
(1,1'-Biphenyl)-2-methanol
CID 76229
3-Hydroxy-3,3-diphenylpropanenitrile
CID 266076
4-(1-Hydroxyethyl)benzonitrile
CID 583335
4-(2-Hydroxypropan-2-yl)benzonitrile
CID 589557
4-(Phenylmethyl)benzenemethanol
CID 597614

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile (CID 67529789) is 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile is N#Cc1c(F)cccc1-c1ccc(CO)cc1.
What is the InChIKey of 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile?
The InChIKey is KOJWMKNCVWNVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c15-14-3-1-2-12(13(14)8-16)11-6-4-10(9-17)5-7-11/h1-7,17H,9H2.
What are the key properties of 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile?
2-fluoro-6-[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 2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile is sourced from PubChem (CID 67529789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).