2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene

C8H4Cl2F4O — CID 118995717

IUPAC2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
SMILESFC(F)Oc1cc(Cl)cc(C(F)F)c1Cl
InChIInChI=1S/C8H4Cl2F4O/c9-3-1-4(7(11)12)6(10)5(2-3)15-8(13)14/h1-2,7-8H
InChIKeyCISOPKHLHJCIIS-UHFFFAOYSA-N
MW263.02 g/mol
LogP4.53
Rot. Bonds3

About 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene

2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene (PubChem CID 118995717) has the molecular formula C8H4Cl2F4O and a molecular weight of 263.02 g/mol. Its IUPAC name is 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene.

Molecular Properties

Compound Name2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
PubChem CID118995717
Molecular FormulaC8H4Cl2F4O
Molecular Weight263.02 g/mol
Exact Mass261.96
IUPAC Name2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
SMILESFC(F)Oc1cc(Cl)cc(C(F)F)c1Cl
InChIInChI=1S/C8H4Cl2F4O/c9-3-1-4(7(11)12)6(10)5(2-3)15-8(13)14/h1-2,7-8H
InChIKeyCISOPKHLHJCIIS-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.02
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene?
The IUPAC name of 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene (CID 118995717) is 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene.
What is the SMILES notation for 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene?
The canonical SMILES for 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene is FC(F)Oc1cc(Cl)cc(C(F)F)c1Cl.
What is the InChIKey of 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene?
The InChIKey is CISOPKHLHJCIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F4O/c9-3-1-4(7(11)12)6(10)5(2-3)15-8(13)14/h1-2,7-8H.
What are the key properties of 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene?
2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene has a molecular weight of 263.02 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene is sourced from PubChem (CID 118995717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).