2,4-dichloro-5-fluorobenzonitrile

C7H2Cl2FN — CID 2782753

IUPAC2,4-dichloro-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C7H2Cl2FN/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2H
InChIKeyXZBZWBDTFUFZSU-UHFFFAOYSA-N
MW190.00 g/mol
LogP3.00
Rot. Bonds

About 2,4-dichloro-5-fluorobenzonitrile

2,4-dichloro-5-fluorobenzonitrile (PubChem CID 2782753) has the molecular formula C7H2Cl2FN and a molecular weight of 190.00 g/mol. Its IUPAC name is 2,4-dichloro-5-fluorobenzonitrile.

Molecular Properties

Compound Name2,4-dichloro-5-fluorobenzonitrile
PubChem CID2782753
Molecular FormulaC7H2Cl2FN
Molecular Weight190.00 g/mol
Exact Mass188.95
IUPAC Name2,4-dichloro-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C7H2Cl2FN/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2H
InChIKeyXZBZWBDTFUFZSU-UHFFFAOYSA-N
XLogP3.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

Dichlobenil
CID 3031
2-Chlorobenzonitrile
CID 13391
4-Chlorobenzonitrile
CID 12163
2,4,6-Trichloroisophthalonitrile
CID 167848
1,3-Benzenedicarbonitrile, 2,4-dichloro-
CID 167847
2,4-Dichlorophenylacetonitrile
CID 80566
2,4-Dichlorobenzonitrile
CID 81050
2-Chloro-5-(trifluoromethyl)benzonitrile
CID 67604
2,4-Dichlorobenzylidenemalononitrile
CID 18089
(2,6-Dichlorophenyl)acetonitrile
CID 76678
3,5-Dichlorobenzonitrile
CID 81052
2-Chloro-6-fluorobenzonitrile
CID 69587

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluorobenzonitrile?
The IUPAC name of 2,4-dichloro-5-fluorobenzonitrile (CID 2782753) is 2,4-dichloro-5-fluorobenzonitrile.
What is the SMILES notation for 2,4-dichloro-5-fluorobenzonitrile?
The canonical SMILES for 2,4-dichloro-5-fluorobenzonitrile is N#Cc1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluorobenzonitrile?
The InChIKey is XZBZWBDTFUFZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FN/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2H.
What are the key properties of 2,4-dichloro-5-fluorobenzonitrile?
2,4-dichloro-5-fluorobenzonitrile has a molecular weight of 190.00 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluorobenzonitrile is sourced from PubChem (CID 2782753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).