3,5-dichloro-2-fluorobenzonitrile

C7H2Cl2FN — CID 19850489

IUPAC3,5-dichloro-2-fluorobenzonitrile
SMILESN#Cc1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C7H2Cl2FN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
InChIKeyMVNPDOOUQXSMMC-UHFFFAOYSA-N
MW190.00 g/mol
LogP3.00
Rot. Bonds

About 3,5-dichloro-2-fluorobenzonitrile

3,5-dichloro-2-fluorobenzonitrile (PubChem CID 19850489) has the molecular formula C7H2Cl2FN and a molecular weight of 190.00 g/mol. Its IUPAC name is 3,5-dichloro-2-fluorobenzonitrile.

Molecular Properties

Compound Name3,5-dichloro-2-fluorobenzonitrile
PubChem CID19850489
Molecular FormulaC7H2Cl2FN
Molecular Weight190.00 g/mol
Exact Mass188.95
IUPAC Name3,5-dichloro-2-fluorobenzonitrile
SMILESN#Cc1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C7H2Cl2FN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
InChIKeyMVNPDOOUQXSMMC-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-fluorobenzonitrile?
The IUPAC name of 3,5-dichloro-2-fluorobenzonitrile (CID 19850489) is 3,5-dichloro-2-fluorobenzonitrile.
What is the SMILES notation for 3,5-dichloro-2-fluorobenzonitrile?
The canonical SMILES for 3,5-dichloro-2-fluorobenzonitrile is N#Cc1cc(Cl)cc(Cl)c1F.
What is the InChIKey of 3,5-dichloro-2-fluorobenzonitrile?
The InChIKey is MVNPDOOUQXSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H.
What are the key properties of 3,5-dichloro-2-fluorobenzonitrile?
3,5-dichloro-2-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 3,5-dichloro-2-fluorobenzonitrile is sourced from PubChem (CID 19850489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).