4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile

C13H5F4NO — CID 81283926

IUPAC4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(Oc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C13H5F4NO/c14-8-2-1-3-11(12(8)17)19-13-9(15)4-7(6-18)5-10(13)16/h1-5H
InChIKeyROLMXYDHGIHACE-UHFFFAOYSA-N
MW267.18 g/mol
LogP3.91
Rot. Bonds2

About 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile

4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile (PubChem CID 81283926) has the molecular formula C13H5F4NO and a molecular weight of 267.18 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
PubChem CID81283926
Molecular FormulaC13H5F4NO
Molecular Weight267.18 g/mol
Exact Mass267.03
IUPAC Name4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(Oc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C13H5F4NO/c14-8-2-1-3-11(12(8)17)19-13-9(15)4-7(6-18)5-10(13)16/h1-5H
InChIKeyROLMXYDHGIHACE-UHFFFAOYSA-N
XLogP3.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
CID 81282911
4-(2-amino-5-fluorophenoxy)-3,5-difluorobenzonitrile
CID 81294672
3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81283347
5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
CID 107088431
1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
CID 63077723
3,5-difluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 81285817
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
CID 81283852
4-(5-amino-2-bromophenoxy)-3,5-difluorobenzonitrile
CID 103011501
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079
3,5-difluoro-4-naphthalen-2-yloxybenzonitrile
CID 81287439
4-(5-chloro-2-nitrophenoxy)-3,5-difluorobenzonitrile
CID 81287464

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile (CID 81283926) is 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile is N#Cc1cc(F)c(Oc2cccc(F)c2F)c(F)c1.
What is the InChIKey of 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile?
The InChIKey is ROLMXYDHGIHACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F4NO/c14-8-2-1-3-11(12(8)17)19-13-9(15)4-7(6-18)5-10(13)16/h1-5H.
What are the key properties of 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile?
4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile has a molecular weight of 267.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81283926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).