2-(3,4-difluorophenoxy)benzonitrile

C13H7F2NO — CID 43429840

IUPAC2-(3,4-difluorophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H7F2NO/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H
InChIKeyNPLYDELFXDEAAO-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.63
Rot. Bonds2

About 2-(3,4-difluorophenoxy)benzonitrile

2-(3,4-difluorophenoxy)benzonitrile (PubChem CID 43429840) has the molecular formula C13H7F2NO and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)benzonitrile
PubChem CID43429840
Molecular FormulaC13H7F2NO
Molecular Weight231.20 g/mol
Exact Mass231.05
IUPAC Name2-(3,4-difluorophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C13H7F2NO/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H
InChIKeyNPLYDELFXDEAAO-UHFFFAOYSA-N
XLogP3.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-(3,4-difluorophenoxy)-3-methylbenzonitrile
CID 107107508
2-(3-bromophenoxy)benzonitrile
CID 28602353
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-[3-(difluoromethoxy)phenoxy]benzonitrile
CID 23001279
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
2-fluoro-5-(2-formylphenoxy)benzonitrile
CID 90204991
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
2-[3-bromo-4-(bromomethyl)phenoxy]benzonitrile
CID 114060599
2-[3-(hydroxymethyl)-4-iodophenoxy]benzonitrile
CID 175383424
2-(6-amino-2,3-difluorophenoxy)benzonitrile
CID 62533416

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)benzonitrile?
The IUPAC name of 2-(3,4-difluorophenoxy)benzonitrile (CID 43429840) is 2-(3,4-difluorophenoxy)benzonitrile.
What is the SMILES notation for 2-(3,4-difluorophenoxy)benzonitrile?
The canonical SMILES for 2-(3,4-difluorophenoxy)benzonitrile is N#Cc1ccccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)benzonitrile?
The InChIKey is NPLYDELFXDEAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NO/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H.
What are the key properties of 2-(3,4-difluorophenoxy)benzonitrile?
2-(3,4-difluorophenoxy)benzonitrile has a molecular weight of 231.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)benzonitrile is sourced from PubChem (CID 43429840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).