2,4-dichloro-1-(trifluoromethyl)benzene

C7H3Cl2F3 — CID 9443

IUPAC2,4-dichloro-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKeyKALSHRGEFLVFHE-UHFFFAOYSA-N
MW215.00 g/mol
LogP4.01
Rot. Bonds

About 2,4-dichloro-1-(trifluoromethyl)benzene

2,4-dichloro-1-(trifluoromethyl)benzene (PubChem CID 9443) has the molecular formula C7H3Cl2F3 and a molecular weight of 215.00 g/mol. Its IUPAC name is 2,4-dichloro-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(trifluoromethyl)benzene
PubChem CID9443
Molecular FormulaC7H3Cl2F3
Molecular Weight215.00 g/mol
Exact Mass213.96
IUPAC Name2,4-dichloro-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKeyKALSHRGEFLVFHE-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.00
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(trifluoromethyl)benzene?
The IUPAC name of 2,4-dichloro-1-(trifluoromethyl)benzene (CID 9443) is 2,4-dichloro-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(trifluoromethyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(trifluoromethyl)benzene?
The InChIKey is KALSHRGEFLVFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H.
What are the key properties of 2,4-dichloro-1-(trifluoromethyl)benzene?
2,4-dichloro-1-(trifluoromethyl)benzene has a molecular weight of 215.00 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(trifluoromethyl)benzene is sourced from PubChem (CID 9443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).