1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene

C10H9Cl2F3O2 — CID 129065633

IUPAC1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene
SMILESCOc1c(Cl)cc(C(OC)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F3O2/c1-16-8-6(11)3-5(4-7(8)12)9(17-2)10(13,14)15/h3-4,9H,1-2H3
InChIKeyJUADGLDFFJOMIZ-UHFFFAOYSA-N
MW289.08 g/mol
LogP4.25
Rot. Bonds3

About 1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene

1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene (PubChem CID 129065633) has the molecular formula C10H9Cl2F3O2 and a molecular weight of 289.08 g/mol. Its IUPAC name is 1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene
PubChem CID129065633
Molecular FormulaC10H9Cl2F3O2
Molecular Weight289.08 g/mol
Exact Mass287.99
IUPAC Name1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene
SMILESCOc1c(Cl)cc(C(OC)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F3O2/c1-16-8-6(11)3-5(4-7(8)12)9(17-2)10(13,14)15/h3-4,9H,1-2H3
InChIKeyJUADGLDFFJOMIZ-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 54.25
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-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene?
The IUPAC name of 1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene (CID 129065633) is 1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene is COc1c(Cl)cc(C(OC)C(F)(F)F)cc1Cl.
What is the InChIKey of 1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene?
The InChIKey is JUADGLDFFJOMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3O2/c1-16-8-6(11)3-5(4-7(8)12)9(17-2)10(13,14)15/h3-4,9H,1-2H3.
What are the key properties of 1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene?
1,3-dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene has a molecular weight of 289.08 g/mol, XLogP of 4.25, 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-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene is sourced from PubChem (CID 129065633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).