5-(4-chlorophenyl)-2-fluorobenzonitrile

C13H7ClFN — CID 164513732

IUPAC5-(4-chlorophenyl)-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C13H7ClFN/c14-12-4-1-9(2-5-12)10-3-6-13(15)11(7-10)8-16/h1-7H
InChIKeyQQYMYRMERABSKS-UHFFFAOYSA-N
MW231.66 g/mol
LogP4.02
Rot. Bonds1

About 5-(4-chlorophenyl)-2-fluorobenzonitrile

5-(4-chlorophenyl)-2-fluorobenzonitrile (PubChem CID 164513732) has the molecular formula C13H7ClFN and a molecular weight of 231.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-fluorobenzonitrile
PubChem CID164513732
Molecular FormulaC13H7ClFN
Molecular Weight231.66 g/mol
Exact Mass231.03
IUPAC Name5-(4-chlorophenyl)-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C13H7ClFN/c14-12-4-1-9(2-5-12)10-3-6-13(15)11(7-10)8-16/h1-7H
InChIKeyQQYMYRMERABSKS-UHFFFAOYSA-N
XLogP4.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
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5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile
CID 57247188
2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile
CID 122200262
5-(4-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684056
4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 21219307
2-fluoro-5-(1-methylpyrazol-4-yl)benzonitrile
CID 58540875
5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 13079832
5-(4-chlorophenyl)benzene-1,3-dicarbonitrile
CID 142726083
2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
CID 134623799
5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile
CID 83396217
2-fluoro-5-hydroxybenzonitrile;hydrochloride
CID 145086137

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-fluorobenzonitrile?
The IUPAC name of 5-(4-chlorophenyl)-2-fluorobenzonitrile (CID 164513732) is 5-(4-chlorophenyl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-2-fluorobenzonitrile is N#Cc1cc(-c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of 5-(4-chlorophenyl)-2-fluorobenzonitrile?
The InChIKey is QQYMYRMERABSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN/c14-12-4-1-9(2-5-12)10-3-6-13(15)11(7-10)8-16/h1-7H.
What are the key properties of 5-(4-chlorophenyl)-2-fluorobenzonitrile?
5-(4-chlorophenyl)-2-fluorobenzonitrile has a molecular weight of 231.66 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-fluorobenzonitrile is sourced from PubChem (CID 164513732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).