1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene

C8H6BrF3O — CID 65203003

IUPAC1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
SMILESFc1cc(OCC(F)F)ccc1Br
InChIInChI=1S/C8H6BrF3O/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3,8H,4H2
InChIKeyAXSISZWZQSDNRN-UHFFFAOYSA-N
MW255.03 g/mol
LogP3.23
Rot. Bonds3

About 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene

1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene (PubChem CID 65203003) has the molecular formula C8H6BrF3O and a molecular weight of 255.03 g/mol. Its IUPAC name is 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
PubChem CID65203003
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
SMILESFc1cc(OCC(F)F)ccc1Br
InChIInChI=1S/C8H6BrF3O/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3,8H,4H2
InChIKeyAXSISZWZQSDNRN-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene?
The IUPAC name of 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene (CID 65203003) is 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene is Fc1cc(OCC(F)F)ccc1Br.
What is the InChIKey of 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene?
The InChIKey is AXSISZWZQSDNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3,8H,4H2.
What are the key properties of 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene?
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene has a molecular weight of 255.03 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene is sourced from PubChem (CID 65203003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).