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

C8H5Cl2F3O2 — CID 118824687

IUPAC1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene
SMILESFCOc1cc(Cl)cc(Cl)c1OC(F)F
InChIInChI=1S/C8H5Cl2F3O2/c9-4-1-5(10)7(15-8(12)13)6(2-4)14-3-11/h1-2,8H,3H2
InChIKeyLEGMIXJTIIIOCJ-UHFFFAOYSA-N
MW261.03 g/mol
LogP3.90
Rot. Bonds4

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

1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene (PubChem CID 118824687) has the molecular formula C8H5Cl2F3O2 and a molecular weight of 261.03 g/mol. Its IUPAC name is 1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene
PubChem CID118824687
Molecular FormulaC8H5Cl2F3O2
Molecular Weight261.03 g/mol
Exact Mass259.96
IUPAC Name1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene
SMILESFCOc1cc(Cl)cc(Cl)c1OC(F)F
InChIInChI=1S/C8H5Cl2F3O2/c9-4-1-5(10)7(15-8(12)13)6(2-4)14-3-11/h1-2,8H,3H2
InChIKeyLEGMIXJTIIIOCJ-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
CID 166641394
1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
CID 118847258
1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
CID 130766678
[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine
CID 121228247
1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
CID 118807710
5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
CID 130969013
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
3,5-dichloro-2-(2,2-difluoroethoxy)aniline
CID 19622891
1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene
CID 118824754
1,2-dibromo-5-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118841497
carbanide;2-(difluoromethoxy)-1-(fluoromethoxy)-3,5-dimethylbenzene-6-ide;tungsten(2+)
CID 59592269

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene?
The IUPAC name of 1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene (CID 118824687) is 1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene.
What is the SMILES notation for 1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene?
The canonical SMILES for 1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene is FCOc1cc(Cl)cc(Cl)c1OC(F)F.
What is the InChIKey of 1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene?
The InChIKey is LEGMIXJTIIIOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3O2/c9-4-1-5(10)7(15-8(12)13)6(2-4)14-3-11/h1-2,8H,3H2.
What are the key properties of 1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene?
1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene has a molecular weight of 261.03 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene is sourced from PubChem (CID 118824687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).