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

C13H9Cl2FO — CID 58646955

IUPAC1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene
SMILESCOc1ccc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2FO/c1-17-12-6-5-8(16)7-9(12)13-10(14)3-2-4-11(13)15/h2-7H,1H3
InChIKeyIVWMQTJRMUSXOP-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.81
Rot. Bonds2

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

1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene (PubChem CID 58646955) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene
PubChem CID58646955
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene
SMILESCOc1ccc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2FO/c1-17-12-6-5-8(16)7-9(12)13-10(14)3-2-4-11(13)15/h2-7H,1H3
InChIKeyIVWMQTJRMUSXOP-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene?
The IUPAC name of 1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene (CID 58646955) is 1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene is COc1ccc(F)cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene?
The InChIKey is IVWMQTJRMUSXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c1-17-12-6-5-8(16)7-9(12)13-10(14)3-2-4-11(13)15/h2-7H,1H3.
What are the key properties of 1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene?
1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene has a molecular weight of 271.12 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(5-fluoro-2-methoxyphenyl)benzene is sourced from PubChem (CID 58646955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).