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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Related Compounds

1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
CID 118847258
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
CID 44828457
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
CID 130969013
1,5-dichloro-2-[3-(4-methoxyphenoxy)propoxy]-3-methylbenzene
CID 4302361
1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium
CID 7460460
1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118824687
1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene
CID 154221105
5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene
CID 123438097
1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
CID 2284246
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 142230559

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).