1-bromo-2-(2,2-difluoroethoxy)benzene

C8H7BrF2O — CID 45158776

IUPAC1-bromo-2-(2,2-difluoroethoxy)benzene
SMILESFC(F)COc1ccccc1Br
InChIInChI=1S/C8H7BrF2O/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,8H,5H2
InChIKeySTMKNINOKNUOGI-UHFFFAOYSA-N
MW237.04 g/mol
LogP3.09
Rot. Bonds3

About 1-bromo-2-(2,2-difluoroethoxy)benzene

1-bromo-2-(2,2-difluoroethoxy)benzene (PubChem CID 45158776) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is 1-bromo-2-(2,2-difluoroethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(2,2-difluoroethoxy)benzene
PubChem CID45158776
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name1-bromo-2-(2,2-difluoroethoxy)benzene
SMILESFC(F)COc1ccccc1Br
InChIInChI=1S/C8H7BrF2O/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,8H,5H2
InChIKeySTMKNINOKNUOGI-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2-difluoroethoxy)benzene?
The IUPAC name of 1-bromo-2-(2,2-difluoroethoxy)benzene (CID 45158776) is 1-bromo-2-(2,2-difluoroethoxy)benzene.
What is the SMILES notation for 1-bromo-2-(2,2-difluoroethoxy)benzene?
The canonical SMILES for 1-bromo-2-(2,2-difluoroethoxy)benzene is FC(F)COc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2,2-difluoroethoxy)benzene?
The InChIKey is STMKNINOKNUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,8H,5H2.
What are the key properties of 1-bromo-2-(2,2-difluoroethoxy)benzene?
1-bromo-2-(2,2-difluoroethoxy)benzene has a molecular weight of 237.04 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,2-difluoroethoxy)benzene is sourced from PubChem (CID 45158776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).