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

C7H4Cl2F2O — CID 118847258

IUPAC1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
SMILESFCOc1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C7H4Cl2F2O/c8-4-1-5(9)7(12-3-10)6(11)2-4/h1-2H,3H2
InChIKeyYDPOUEXRWRDYNI-UHFFFAOYSA-N
MW213.01 g/mol
LogP3.44
Rot. Bonds2

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

1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene (PubChem CID 118847258) has the molecular formula C7H4Cl2F2O and a molecular weight of 213.01 g/mol. Its IUPAC name is 1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
PubChem CID118847258
Molecular FormulaC7H4Cl2F2O
Molecular Weight213.01 g/mol
Exact Mass211.96
IUPAC Name1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
SMILESFCOc1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C7H4Cl2F2O/c8-4-1-5(9)7(12-3-10)6(11)2-4/h1-2H,3H2
InChIKeyYDPOUEXRWRDYNI-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene?
The IUPAC name of 1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene (CID 118847258) is 1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene.
What is the SMILES notation for 1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene?
The canonical SMILES for 1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene is FCOc1c(F)cc(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene?
The InChIKey is YDPOUEXRWRDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O/c8-4-1-5(9)7(12-3-10)6(11)2-4/h1-2H,3H2.
What are the key properties of 1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene?
1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene has a molecular weight of 213.01 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene is sourced from PubChem (CID 118847258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).