3-(2,4-dichlorophenyl)-2-fluorobenzonitrile

C13H6Cl2FN — CID 134617900

IUPAC3-(2,4-dichlorophenyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2ccc(Cl)cc2Cl)c1F
InChIInChI=1S/C13H6Cl2FN/c14-9-4-5-10(12(15)6-9)11-3-1-2-8(7-17)13(11)16/h1-6H
InChIKeyWVVDTXROPRBSGF-UHFFFAOYSA-N
MW266.10 g/mol
LogP4.67
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile

3-(2,4-dichlorophenyl)-2-fluorobenzonitrile (PubChem CID 134617900) has the molecular formula C13H6Cl2FN and a molecular weight of 266.10 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-fluorobenzonitrile
PubChem CID134617900
Molecular FormulaC13H6Cl2FN
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name3-(2,4-dichlorophenyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2ccc(Cl)cc2Cl)c1F
InChIInChI=1S/C13H6Cl2FN/c14-9-4-5-10(12(15)6-9)11-3-1-2-8(7-17)13(11)16/h1-6H
InChIKeyWVVDTXROPRBSGF-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-(3-chlorophenyl)-2-fluorobenzonitrile
CID 154824751
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713
1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
CID 87132291
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901
3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
CID 133095084
2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
CID 119002759
2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 119006979
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949
2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
CID 134623799
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenoxy)pyridine-3-carbonitrile
CID 10151871
2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 154468811
4-amino-5-(2-chlorophenyl)-2-fluorobenzonitrile
CID 168654712

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile (CID 134617900) is 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile is N#Cc1cccc(-c2ccc(Cl)cc2Cl)c1F.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile?
The InChIKey is WVVDTXROPRBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FN/c14-9-4-5-10(12(15)6-9)11-3-1-2-8(7-17)13(11)16/h1-6H.
What are the key properties of 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile?
3-(2,4-dichlorophenyl)-2-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 3-(2,4-dichlorophenyl)-2-fluorobenzonitrile is sourced from PubChem (CID 134617900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).