3-[(3-fluorophenyl)methoxy]benzonitrile

C14H10FNO — CID 27108743

IUPAC3-[(3-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C14H10FNO/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-8H,10H2
InChIKeyPIBMHLXEOSARLZ-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.28
Rot. Bonds3

About 3-[(3-fluorophenyl)methoxy]benzonitrile

3-[(3-fluorophenyl)methoxy]benzonitrile (PubChem CID 27108743) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxy]benzonitrile
PubChem CID27108743
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name3-[(3-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C14H10FNO/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-8H,10H2
InChIKeyPIBMHLXEOSARLZ-UHFFFAOYSA-N
XLogP3.28
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 55025222
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
4-[(3-cyanophenoxy)methyl]-2-fluorobenzoic acid
CID 106698261
3-[(3-tert-butylphenoxy)methyl]benzonitrile
CID 43238316
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
3-[(2,3,4,5,6-pentafluorophenoxy)methyl]benzonitrile
CID 43607862
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
3-[(2,3-difluorophenyl)methoxy]benzonitrile
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3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxy]benzonitrile?
The IUPAC name of 3-[(3-fluorophenyl)methoxy]benzonitrile (CID 27108743) is 3-[(3-fluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 3-[(3-fluorophenyl)methoxy]benzonitrile is N#Cc1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxy]benzonitrile?
The InChIKey is PIBMHLXEOSARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-8H,10H2.
What are the key properties of 3-[(3-fluorophenyl)methoxy]benzonitrile?
3-[(3-fluorophenyl)methoxy]benzonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 27108743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).