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

C8H7Cl2FO — CID 130766678

IUPAC1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
SMILESCc1cc(Cl)cc(Cl)c1OCF
InChIInChI=1S/C8H7Cl2FO/c1-5-2-6(9)3-7(10)8(5)12-4-11/h2-3H,4H2,1H3
InChIKeyWDZPCSXMGVKVFD-UHFFFAOYSA-N
MW209.05 g/mol
LogP3.61
Rot. Bonds2

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

1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene (PubChem CID 130766678) has the molecular formula C8H7Cl2FO and a molecular weight of 209.05 g/mol. Its IUPAC name is 1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene.

Molecular Properties

Compound Name1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
PubChem CID130766678
Molecular FormulaC8H7Cl2FO
Molecular Weight209.05 g/mol
Exact Mass207.99
IUPAC Name1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
SMILESCc1cc(Cl)cc(Cl)c1OCF
InChIInChI=1S/C8H7Cl2FO/c1-5-2-6(9)3-7(10)8(5)12-4-11/h2-3H,4H2,1H3
InChIKeyWDZPCSXMGVKVFD-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene?
The IUPAC name of 1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene (CID 130766678) is 1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene.
What is the SMILES notation for 1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene?
The canonical SMILES for 1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene is Cc1cc(Cl)cc(Cl)c1OCF.
What is the InChIKey of 1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene?
The InChIKey is WDZPCSXMGVKVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO/c1-5-2-6(9)3-7(10)8(5)12-4-11/h2-3H,4H2,1H3.
What are the key properties of 1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene?
1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene has a molecular weight of 209.05 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene is sourced from PubChem (CID 130766678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).