2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene

C8H6Cl2F2OS — CID 119005912

IUPAC2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene
SMILESCSc1cc(Cl)cc(OC(F)F)c1Cl
InChIInChI=1S/C8H6Cl2F2OS/c1-14-6-3-4(9)2-5(7(6)10)13-8(11)12/h2-3,8H,1H3
InChIKeyRCDDYJCAFSVAHP-UHFFFAOYSA-N
MW259.10 g/mol
LogP4.32
Rot. Bonds3

About 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene

2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene (PubChem CID 119005912) has the molecular formula C8H6Cl2F2OS and a molecular weight of 259.10 g/mol. Its IUPAC name is 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene.

Molecular Properties

Compound Name2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene
PubChem CID119005912
Molecular FormulaC8H6Cl2F2OS
Molecular Weight259.10 g/mol
Exact Mass257.95
IUPAC Name2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene
SMILESCSc1cc(Cl)cc(OC(F)F)c1Cl
InChIInChI=1S/C8H6Cl2F2OS/c1-14-6-3-4(9)2-5(7(6)10)13-8(11)12/h2-3,8H,1H3
InChIKeyRCDDYJCAFSVAHP-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene 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

2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995717
1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119005607
2,5-dichloro-3-(difluoromethoxy)benzoic acid
CID 119002973
1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene
CID 130785589
4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
CID 71127951
[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
CID 75485810
4-chloro-2-(difluoromethoxy)aniline
CID 19439738
4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile
CID 171003104
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
1,2-dichloro-4-(difluoromethoxy)-5-methylbenzene
CID 118812254
5-chloro-2-fluoro-3-methylsulfanylaniline
CID 83410374
1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene
CID 176611239

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene?
The IUPAC name of 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene (CID 119005912) is 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene.
What is the SMILES notation for 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene?
The canonical SMILES for 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene is CSc1cc(Cl)cc(OC(F)F)c1Cl.
What is the InChIKey of 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene?
The InChIKey is RCDDYJCAFSVAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2OS/c1-14-6-3-4(9)2-5(7(6)10)13-8(11)12/h2-3,8H,1H3.
What are the key properties of 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene?
2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene has a molecular weight of 259.10 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene is sourced from PubChem (CID 119005912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).