3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile

C13H6ClF2NO — CID 102818270

IUPAC3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H6ClF2NO/c14-11-2-1-3-12(13(11)16)18-10-5-8(7-17)4-9(15)6-10/h1-6H
InChIKeyZZPNEDCVPPVTCQ-UHFFFAOYSA-N
MW265.65 g/mol
LogP4.28
Rot. Bonds2

About 3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile

3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile (PubChem CID 102818270) has the molecular formula C13H6ClF2NO and a molecular weight of 265.65 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile
PubChem CID102818270
Molecular FormulaC13H6ClF2NO
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H6ClF2NO/c14-11-2-1-3-12(13(11)16)18-10-5-8(7-17)4-9(15)6-10/h1-6H
InChIKeyZZPNEDCVPPVTCQ-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

3-(2-bromo-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102817771
3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102818128
3-(2-tert-butylphenoxy)-5-fluorobenzonitrile
CID 102817773
2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766993
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549
3-fluoro-5-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 102818187
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-(2-chlorophenoxy)benzonitrile
CID 22148146
3-fluoro-5-[(1,2,2,4-tetrafluoro-3,3-dihydroxy-1H-inden-5-yl)oxy]benzonitrile
CID 162518148
3-(4-chloro-3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817962
3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
CID 102818151
3-(3-chloro-2-fluorophenoxy)-4-(1-hydroxyethyl)benzonitrile
CID 116689378

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile?
The IUPAC name of 3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile (CID 102818270) is 3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile?
The canonical SMILES for 3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile is N#Cc1cc(F)cc(Oc2cccc(Cl)c2F)c1.
What is the InChIKey of 3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile?
The InChIKey is ZZPNEDCVPPVTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2NO/c14-11-2-1-3-12(13(11)16)18-10-5-8(7-17)4-9(15)6-10/h1-6H.
What are the key properties of 3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile?
3-(3-chloro-2-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-2-fluorophenoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 102818270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).