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

C8H5Cl2F3O2 — CID 166641394

IUPAC1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
SMILESFCOc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H5Cl2F3O2/c9-5-1-4(14-3-11)2-6(10)7(5)15-8(12)13/h1-2,8H,3H2
InChIKeyZUJFSIVRNMNFSQ-UHFFFAOYSA-N
MW261.03 g/mol
LogP3.90
Rot. Bonds4

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

1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene (PubChem CID 166641394) has the molecular formula C8H5Cl2F3O2 and a molecular weight of 261.03 g/mol. Its IUPAC name is 1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
PubChem CID166641394
Molecular FormulaC8H5Cl2F3O2
Molecular Weight261.03 g/mol
Exact Mass259.96
IUPAC Name1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
SMILESFCOc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H5Cl2F3O2/c9-5-1-4(14-3-11)2-6(10)7(5)15-8(12)13/h1-2,8H,3H2
InChIKeyZUJFSIVRNMNFSQ-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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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene?
The IUPAC name of 1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene (CID 166641394) is 1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene.
What is the SMILES notation for 1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene?
The canonical SMILES for 1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene is FCOc1cc(Cl)c(OC(F)F)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene?
The InChIKey is ZUJFSIVRNMNFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3O2/c9-5-1-4(14-3-11)2-6(10)7(5)15-8(12)13/h1-2,8H,3H2.
What are the key properties of 1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene?
1,3-dichloro-2-(difluoromethoxy)-5-(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 1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene is sourced from PubChem (CID 166641394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).