1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene

C9H9BrF2O2 — CID 170911119

IUPAC1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene
SMILESCOCC(F)(F)Oc1ccccc1Br
InChIInChI=1S/C9H9BrF2O2/c1-13-6-9(11,12)14-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3
InChIKeyIXFGBPWAFMKIMB-UHFFFAOYSA-N
MW267.07 g/mol
LogP3.07
Rot. Bonds4

About 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene

1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene (PubChem CID 170911119) has the molecular formula C9H9BrF2O2 and a molecular weight of 267.07 g/mol. Its IUPAC name is 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene
PubChem CID170911119
Molecular FormulaC9H9BrF2O2
Molecular Weight267.07 g/mol
Exact Mass265.98
IUPAC Name1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene
SMILESCOCC(F)(F)Oc1ccccc1Br
InChIInChI=1S/C9H9BrF2O2/c1-13-6-9(11,12)14-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3
InChIKeyIXFGBPWAFMKIMB-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene?
The IUPAC name of 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene (CID 170911119) is 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene.
What is the SMILES notation for 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene?
The canonical SMILES for 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene is COCC(F)(F)Oc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene?
The InChIKey is IXFGBPWAFMKIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O2/c1-13-6-9(11,12)14-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3.
What are the key properties of 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene?
1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene has a molecular weight of 267.07 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene is sourced from PubChem (CID 170911119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).