2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone

C10H9BrF2O2 — CID 99769831

IUPAC2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone
SMILESO=C(CBr)c1ccccc1OCC(F)F
InChIInChI=1S/C10H9BrF2O2/c11-5-8(14)7-3-1-2-4-9(7)15-6-10(12)13/h1-4,10H,5-6H2
InChIKeyZKGUYPRXFLGXIR-UHFFFAOYSA-N
MW279.08 g/mol
LogP2.91
Rot. Bonds5

About 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone

2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone (PubChem CID 99769831) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone
PubChem CID99769831
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone
SMILESO=C(CBr)c1ccccc1OCC(F)F
InChIInChI=1S/C10H9BrF2O2/c11-5-8(14)7-3-1-2-4-9(7)15-6-10(12)13/h1-4,10H,5-6H2
InChIKeyZKGUYPRXFLGXIR-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 60921638
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2-bromo-1-[2-(cyclopropylmethoxy)phenyl]ethanone
CID 95927871
2-bromo-1-[2-(difluoromethyl)phenyl]ethanone
CID 177183939
(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine
CID 60922167
2-bromo-1-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]ethanone
CID 177213923
5-bromo-2-(2,2-difluoroethoxy)benzoic acid
CID 60922935
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171
2-bromo-1-(2-propan-2-yloxyphenyl)ethanone;1-(2-hydroxyphenyl)ethanone;1-(2-propan-2-yloxyphenyl)ethanone
CID 157160076
2-[2-(bromomethyl)butoxy]benzamide
CID 64995210
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone?
The IUPAC name of 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone (CID 99769831) is 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone is O=C(CBr)c1ccccc1OCC(F)F.
What is the InChIKey of 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone?
The InChIKey is ZKGUYPRXFLGXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c11-5-8(14)7-3-1-2-4-9(7)15-6-10(12)13/h1-4,10H,5-6H2.
What are the key properties of 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone?
2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone has a molecular weight of 279.08 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone is sourced from PubChem (CID 99769831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).