1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene

C10H10BrF3O2 — CID 167882295

IUPAC1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene
SMILESFc1c(Br)cccc1OCCOCC(F)F
InChIInChI=1S/C10H10BrF3O2/c11-7-2-1-3-8(10(7)14)16-5-4-15-6-9(12)13/h1-3,9H,4-6H2
InChIKeySHJBYSFNETWVRY-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.25
Rot. Bonds6

About 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene

1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene (PubChem CID 167882295) has the molecular formula C10H10BrF3O2 and a molecular weight of 299.09 g/mol. Its IUPAC name is 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene
PubChem CID167882295
Molecular FormulaC10H10BrF3O2
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC Name1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene
SMILESFc1c(Br)cccc1OCCOCC(F)F
InChIInChI=1S/C10H10BrF3O2/c11-7-2-1-3-8(10(7)14)16-5-4-15-6-9(12)13/h1-3,9H,4-6H2
InChIKeySHJBYSFNETWVRY-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride
CID 170912674
1-bromo-4-(2,2-difluoroethoxy)-2,3-difluorobenzene
CID 138986532
4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide
CID 176959820
5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine
CID 99827780
4-(3-bromo-2-fluorophenoxy)-2-fluoro-1-(4-fluorophenyl)butan-1-one;ethane
CID 176959818
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247
(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide
CID 167539497
1-[2-(2-chloroethoxy)ethoxy]-2,3-difluorobenzene
CID 63665653
2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 106447734
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
2-[2-(2-fluoro-3-methylphenoxy)ethoxy]ethanamine
CID 107658319

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene?
The IUPAC name of 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene (CID 167882295) is 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene is Fc1c(Br)cccc1OCCOCC(F)F.
What is the InChIKey of 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene?
The InChIKey is SHJBYSFNETWVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O2/c11-7-2-1-3-8(10(7)14)16-5-4-15-6-9(12)13/h1-3,9H,4-6H2.
What are the key properties of 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene?
1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene has a molecular weight of 299.09 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene is sourced from PubChem (CID 167882295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).