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

C8H6Cl2F2O — CID 130785589

IUPAC1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)c(OC(F)F)c1
InChIInChI=1S/C8H6Cl2F2O/c1-4-2-5(9)7(10)6(3-4)13-8(11)12/h2-3,8H,1H3
InChIKeyGEWQAXNOCBKXLU-UHFFFAOYSA-N
MW227.04 g/mol
LogP3.90
Rot. Bonds2

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

1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene (PubChem CID 130785589) has the molecular formula C8H6Cl2F2O and a molecular weight of 227.04 g/mol. Its IUPAC name is 1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene.

Molecular Properties

Compound Name1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene
PubChem CID130785589
Molecular FormulaC8H6Cl2F2O
Molecular Weight227.04 g/mol
Exact Mass225.98
IUPAC Name1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)c(OC(F)F)c1
InChIInChI=1S/C8H6Cl2F2O/c1-4-2-5(9)7(10)6(3-4)13-8(11)12/h2-3,8H,1H3
InChIKeyGEWQAXNOCBKXLU-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-4-(difluoromethoxy)-5-methylbenzene
CID 118812254
methyl 3,4-dichloro-5-(difluoromethoxy)benzoate
CID 121228221
4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene
CID 119005912
4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171004500
2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995717
3-(difluoromethoxy)-2-fluoro-5-methylbenzaldehyde
CID 131567111
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 22205973
1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 171004612
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
1-(difluoromethoxy)-3,5-dimethylbenzene;ethane
CID 144663718

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene?
The IUPAC name of 1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene (CID 130785589) is 1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene.
What is the SMILES notation for 1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene?
The canonical SMILES for 1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene is Cc1cc(Cl)c(Cl)c(OC(F)F)c1.
What is the InChIKey of 1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene?
The InChIKey is GEWQAXNOCBKXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2O/c1-4-2-5(9)7(10)6(3-4)13-8(11)12/h2-3,8H,1H3.
What are the key properties of 1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene?
1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene has a molecular weight of 227.04 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene is sourced from PubChem (CID 130785589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).