2,6-dichloro-4-(trifluoromethyl)benzonitrile

C8H2Cl2F3N — CID 2736870

IUPAC2,6-dichloro-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H
InChIKeyNCXSSFQXQAOREM-UHFFFAOYSA-N
MW240.01 g/mol
LogP3.88
Rot. Bonds

About 2,6-dichloro-4-(trifluoromethyl)benzonitrile

2,6-dichloro-4-(trifluoromethyl)benzonitrile (PubChem CID 2736870) has the molecular formula C8H2Cl2F3N and a molecular weight of 240.01 g/mol. Its IUPAC name is 2,6-dichloro-4-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2,6-dichloro-4-(trifluoromethyl)benzonitrile
PubChem CID2736870
Molecular FormulaC8H2Cl2F3N
Molecular Weight240.01 g/mol
Exact Mass238.95
IUPAC Name2,6-dichloro-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H
InChIKeyNCXSSFQXQAOREM-UHFFFAOYSA-N
XLogP3.88
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.01
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(trifluoromethyl)benzonitrile?
The IUPAC name of 2,6-dichloro-4-(trifluoromethyl)benzonitrile (CID 2736870) is 2,6-dichloro-4-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2,6-dichloro-4-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2,6-dichloro-4-(trifluoromethyl)benzonitrile is N#Cc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(trifluoromethyl)benzonitrile?
The InChIKey is NCXSSFQXQAOREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H.
What are the key properties of 2,6-dichloro-4-(trifluoromethyl)benzonitrile?
2,6-dichloro-4-(trifluoromethyl)benzonitrile has a molecular weight of 240.01 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 2736870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).