3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile

C13H6ClF2NO — CID 102818128

IUPAC3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H6ClF2NO/c14-12-6-10(1-2-13(12)16)18-11-4-8(7-17)3-9(15)5-11/h1-6H
InChIKeyQXHXNPWFLOQABC-UHFFFAOYSA-N
MW265.65 g/mol
LogP4.28
Rot. Bonds2

About 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile

3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile (PubChem CID 102818128) has the molecular formula C13H6ClF2NO and a molecular weight of 265.65 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
PubChem CID102818128
Molecular FormulaC13H6ClF2NO
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H6ClF2NO/c14-12-6-10(1-2-13(12)16)18-11-4-8(7-17)3-9(15)5-11/h1-6H
InChIKeyQXHXNPWFLOQABC-UHFFFAOYSA-N
XLogP4.28
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
3-(4-chloro-3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817962
3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile
CID 102818056
3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile
CID 102818270
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817820
3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
CID 102818151
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
3-[3-(dimethylamino)phenoxy]-5-fluorobenzonitrile
CID 102818047
(3-chloro-4-fluorophenyl) cyanate
CID 122489047
4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283851

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile (CID 102818128) is 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile is N#Cc1cc(F)cc(Oc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile?
The InChIKey is QXHXNPWFLOQABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2NO/c14-12-6-10(1-2-13(12)16)18-11-4-8(7-17)3-9(15)5-11/h1-6H.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile?
3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile has a molecular weight of 265.65 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 102818128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).