2-(3,5-dichlorophenyl)-3-fluorobenzonitrile

C13H6Cl2FN — CID 134623799

IUPAC2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H6Cl2FN/c14-10-4-9(5-11(15)6-10)13-8(7-17)2-1-3-12(13)16/h1-6H
InChIKeyOPZXSLUNVNZMGL-UHFFFAOYSA-N
MW266.10 g/mol
LogP4.67
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile

2-(3,5-dichlorophenyl)-3-fluorobenzonitrile (PubChem CID 134623799) has the molecular formula C13H6Cl2FN and a molecular weight of 266.10 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
PubChem CID134623799
Molecular FormulaC13H6Cl2FN
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H6Cl2FN/c14-10-4-9(5-11(15)6-10)13-8(7-17)2-1-3-12(13)16/h1-6H
InChIKeyOPZXSLUNVNZMGL-UHFFFAOYSA-N
XLogP4.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-phenylbenzonitrile
CID 46314737
2-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)benzonitrile
CID 172915375
3-fluoro-2-(2-fluoro-5-iodophenyl)benzonitrile
CID 58349892
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzonitrile
CID 135133126
5-(4-chlorophenyl)-2-fluorobenzonitrile
CID 164513732
3-(3-chlorophenyl)-2-fluorobenzonitrile
CID 154824751
3-chloro-5-(2,6-difluorophenyl)phenol
CID 53221278
2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile
CID 172915379
[2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine
CID 134631487
2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
CID 82122908
2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
2-chloro-4-(2-fluorophenyl)benzonitrile
CID 46314397

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile?
The IUPAC name of 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile (CID 134623799) is 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile?
The canonical SMILES for 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile is N#Cc1cccc(F)c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile?
The InChIKey is OPZXSLUNVNZMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FN/c14-10-4-9(5-11(15)6-10)13-8(7-17)2-1-3-12(13)16/h1-6H.
What are the key properties of 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile?
2-(3,5-dichlorophenyl)-3-fluorobenzonitrile has a molecular weight of 266.10 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-3-fluorobenzonitrile is sourced from PubChem (CID 134623799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).