1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene

C9H7Cl2F3O2 — CID 19841681

IUPAC1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene
SMILESCCOc1c(Cl)cc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C9H7Cl2F3O2/c1-2-15-8-6(10)3-5(4-7(8)11)16-9(12,13)14/h3-4H,2H2,1H3
InChIKeyLGCFIPAAHVVDHN-UHFFFAOYSA-N
MW275.05 g/mol
LogP4.29
Rot. Bonds3

About 1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene

1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene (PubChem CID 19841681) has the molecular formula C9H7Cl2F3O2 and a molecular weight of 275.05 g/mol. Its IUPAC name is 1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene
PubChem CID19841681
Molecular FormulaC9H7Cl2F3O2
Molecular Weight275.05 g/mol
Exact Mass273.98
IUPAC Name1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene
SMILESCCOc1c(Cl)cc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C9H7Cl2F3O2/c1-2-15-8-6(10)3-5(4-7(8)11)16-9(12,13)14/h3-4H,2H2,1H3
InChIKeyLGCFIPAAHVVDHN-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 54.29
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-ethoxy-5-(trifluoromethoxy)benzene?
The IUPAC name of 1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene (CID 19841681) is 1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene is CCOc1c(Cl)cc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene?
The InChIKey is LGCFIPAAHVVDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3O2/c1-2-15-8-6(10)3-5(4-7(8)11)16-9(12,13)14/h3-4H,2H2,1H3.
What are the key properties of 1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene?
1,3-dichloro-2-ethoxy-5-(trifluoromethoxy)benzene has a molecular weight of 275.05 g/mol, XLogP of 4.29, 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-ethoxy-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 19841681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).