1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene

C8H6Cl2F2OS — CID 119005607

IUPAC1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
SMILESCSc1c(Cl)ccc(OC(F)F)c1Cl
InChIInChI=1S/C8H6Cl2F2OS/c1-14-7-4(9)2-3-5(6(7)10)13-8(11)12/h2-3,8H,1H3
InChIKeyPOCHQUCPIUIVSL-UHFFFAOYSA-N
MW259.10 g/mol
LogP4.32
Rot. Bonds3

About 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene

1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene (PubChem CID 119005607) has the molecular formula C8H6Cl2F2OS and a molecular weight of 259.10 g/mol. Its IUPAC name is 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
PubChem CID119005607
Molecular FormulaC8H6Cl2F2OS
Molecular Weight259.10 g/mol
Exact Mass257.95
IUPAC Name1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
SMILESCSc1c(Cl)ccc(OC(F)F)c1Cl
InChIInChI=1S/C8H6Cl2F2OS/c1-14-7-4(9)2-3-5(6(7)10)13-8(11)12/h2-3,8H,1H3
InChIKeyPOCHQUCPIUIVSL-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

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Related Compounds

1,4-dichloro-2,3-bis(methylsulfanyl)benzene
CID 129229080
1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119024321
2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene
CID 119005912
1-[3-chloro-4-(difluoromethoxy)-2-fluorophenyl]-2,5-dimethylpyrrole
CID 166538147
2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile
CID 118998262
2,3-dichloro-6-(difluoromethoxy)benzaldehyde
CID 121228172
(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129424
1,2,3-trichloro-4-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622361
2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene
CID 118849305
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 119010912
1-bromo-2-chloro-3-methylsulfanyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 164578579

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene?
The IUPAC name of 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene (CID 119005607) is 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene.
What is the SMILES notation for 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene?
The canonical SMILES for 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene is CSc1c(Cl)ccc(OC(F)F)c1Cl.
What is the InChIKey of 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene?
The InChIKey is POCHQUCPIUIVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2OS/c1-14-7-4(9)2-3-5(6(7)10)13-8(11)12/h2-3,8H,1H3.
What are the key properties of 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene?
1,3-dichloro-4-(difluoromethoxy)-2-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 1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene is sourced from PubChem (CID 119005607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).