2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene

C8H5Cl3F2O — CID 118849305

IUPAC2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(CCl)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl3F2O/c9-3-4-1-2-5(14-8(12)13)7(11)6(4)10/h1-2,8H,3H2
InChIKeyIYOHVSUDQOWBOA-UHFFFAOYSA-N
MW261.48 g/mol
LogP4.33
Rot. Bonds3

About 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene

2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene (PubChem CID 118849305) has the molecular formula C8H5Cl3F2O and a molecular weight of 261.48 g/mol. Its IUPAC name is 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene.

Molecular Properties

Compound Name2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene
PubChem CID118849305
Molecular FormulaC8H5Cl3F2O
Molecular Weight261.48 g/mol
Exact Mass259.94
IUPAC Name2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(CCl)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl3F2O/c9-3-4-1-2-5(14-8(12)13)7(11)6(4)10/h1-2,8H,3H2
InChIKeyIYOHVSUDQOWBOA-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene with MolForge

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

Launch Full Analysis

Related Compounds

[2-chloro-3-(difluoromethoxy)phenyl]methanol
CID 118270193
2-(chloromethyl)-1-(difluoromethoxy)-4-nitrobenzene
CID 43472992
3-(chloromethyl)-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride
CID 131383512
2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile
CID 118998262
1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119005607
1,3-dibromo-4-(chloromethyl)-2-(difluoromethoxy)benzene
CID 118990809
1-bromo-3-[4-(chloromethyl)-3-(difluoromethoxy)phenyl]propan-2-one
CID 134624879
ethyl 2-[3-chloro-2-cyano-4-(difluoromethoxy)phenyl]acetate
CID 134653100
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 119010912
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
1-[3-chloro-4-(difluoromethoxy)-2-fluorophenyl]-2,5-dimethylpyrrole
CID 166538147

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene?
The IUPAC name of 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene (CID 118849305) is 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene.
What is the SMILES notation for 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene?
The canonical SMILES for 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene is FC(F)Oc1ccc(CCl)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene?
The InChIKey is IYOHVSUDQOWBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3F2O/c9-3-4-1-2-5(14-8(12)13)7(11)6(4)10/h1-2,8H,3H2.
What are the key properties of 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene?
2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene has a molecular weight of 261.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene is sourced from PubChem (CID 118849305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).