1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene

C9H3Cl2F5O2 — CID 169303308

IUPAC1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene
SMILESF/C(Oc1ccc(Cl)c(Cl)c1)=C(/F)OC(F)(F)F
InChIInChI=1S/C9H3Cl2F5O2/c10-5-2-1-4(3-6(5)11)17-7(12)8(13)18-9(14,15)16/h1-3H/b8-7+
InChIKeyKEGDEIJPOUXQCT-BQYQJAHWSA-N
MW309.02 g/mol
LogP4.97
Rot. Bonds3

About 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene

1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene (PubChem CID 169303308) has the molecular formula C9H3Cl2F5O2 and a molecular weight of 309.02 g/mol. Its IUPAC name is 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene
PubChem CID169303308
Molecular FormulaC9H3Cl2F5O2
Molecular Weight309.02 g/mol
Exact Mass307.94
IUPAC Name1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene
SMILESF/C(Oc1ccc(Cl)c(Cl)c1)=C(/F)OC(F)(F)F
InChIInChI=1S/C9H3Cl2F5O2/c10-5-2-1-4(3-6(5)11)17-7(12)8(13)18-9(14,15)16/h1-3H/b8-7+
InChIKeyKEGDEIJPOUXQCT-BQYQJAHWSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.02
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene?
The IUPAC name of 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene (CID 169303308) is 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene?
The canonical SMILES for 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene is F/C(Oc1ccc(Cl)c(Cl)c1)=C(/F)OC(F)(F)F.
What is the InChIKey of 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene?
The InChIKey is KEGDEIJPOUXQCT-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H3Cl2F5O2/c10-5-2-1-4(3-6(5)11)17-7(12)8(13)18-9(14,15)16/h1-3H/b8-7+.
What are the key properties of 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene?
1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene has a molecular weight of 309.02 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(E)-1,2-difluoro-2-(trifluoromethoxy)ethenoxy]benzene is sourced from PubChem (CID 169303308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).