4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile

C13H6ClF2NO — CID 54880085

IUPAC4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C13H6ClF2NO/c14-10-6-9(15)2-4-12(10)18-13-3-1-8(7-17)5-11(13)16/h1-6H
InChIKeyBDROEVFWDLYECR-UHFFFAOYSA-N
MW265.65 g/mol
LogP4.28
Rot. Bonds2

About 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile

4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile (PubChem CID 54880085) has the molecular formula C13H6ClF2NO and a molecular weight of 265.65 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
PubChem CID54880085
Molecular FormulaC13H6ClF2NO
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C13H6ClF2NO/c14-10-6-9(15)2-4-12(10)18-13-3-1-8(7-17)5-11(13)16/h1-6H
InChIKeyBDROEVFWDLYECR-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

4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-(4-bromo-2-chlorophenoxy)-3-fluorobenzonitrile
CID 43657480
4-amino-3-(2-chloro-4-fluorophenoxy)benzonitrile
CID 104712633
4-(4-bromo-2-fluorophenoxy)-3-chlorobenzonitrile
CID 55180064
3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile
CID 11644815
3-(2-chloro-4-fluorophenoxy)-4-nitrobenzonitrile
CID 133477901
3-bromo-4-(2,4-difluorophenoxy)benzonitrile
CID 82798545
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
3-fluoro-4-[4-fluoro-2-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 107665492
4-(2-chloro-5-nitrophenoxy)-3-fluorobenzonitrile
CID 63992371

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile (CID 54880085) is 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile is N#Cc1ccc(Oc2ccc(F)cc2Cl)c(F)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile?
The InChIKey is BDROEVFWDLYECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2NO/c14-10-6-9(15)2-4-12(10)18-13-3-1-8(7-17)5-11(13)16/h1-6H.
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile?
4-(2-chloro-4-fluorophenoxy)-3-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 4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile is sourced from PubChem (CID 54880085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).