1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene

C14H9Cl2F3O2 — CID 13390267

IUPAC1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene
SMILESCOc1cccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H9Cl2F3O2/c1-20-9-3-2-4-10(7-9)21-13-11(15)5-8(6-12(13)16)14(17,18)19/h2-7H,1H3
InChIKeyIJUSJIXOGFGFCS-UHFFFAOYSA-N
MW337.12 g/mol
LogP5.81
Rot. Bonds3

About 1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene

1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene (PubChem CID 13390267) has the molecular formula C14H9Cl2F3O2 and a molecular weight of 337.12 g/mol. Its IUPAC name is 1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene
PubChem CID13390267
Molecular FormulaC14H9Cl2F3O2
Molecular Weight337.12 g/mol
Exact Mass335.99
IUPAC Name1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene
SMILESCOc1cccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H9Cl2F3O2/c1-20-9-3-2-4-10(7-9)21-13-11(15)5-8(6-12(13)16)14(17,18)19/h2-7H,1H3
InChIKeyIJUSJIXOGFGFCS-UHFFFAOYSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.12
LogP ≤ 55.81
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-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene?
The IUPAC name of 1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene (CID 13390267) is 1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene is COc1cccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene?
The InChIKey is IJUSJIXOGFGFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3O2/c1-20-9-3-2-4-10(7-9)21-13-11(15)5-8(6-12(13)16)14(17,18)19/h2-7H,1H3.
What are the key properties of 1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene?
1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene has a molecular weight of 337.12 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(3-methoxyphenoxy)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 13390267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).