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

C8H6BrF3O — CID 83231769

IUPAC2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
SMILESFc1ccc(OCC(F)F)cc1Br
InChIInChI=1S/C8H6BrF3O/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3,8H,4H2
InChIKeySDSOMGXMXQIYED-UHFFFAOYSA-N
MW255.03 g/mol
LogP3.23
Rot. Bonds3

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

2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene (PubChem CID 83231769) has the molecular formula C8H6BrF3O and a molecular weight of 255.03 g/mol. Its IUPAC name is 2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
PubChem CID83231769
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
SMILESFc1ccc(OCC(F)F)cc1Br
InChIInChI=1S/C8H6BrF3O/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3,8H,4H2
InChIKeySDSOMGXMXQIYED-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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Related Compounds

1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene
CID 83232718
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407
2-bromo-4-(2,2-difluoroethoxy)benzonitrile
CID 107277090
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
(3-bromo-4-fluorophenoxy)methyl-trifluoroboranuide
CID 83234936
3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
CID 83234776
2-bromo-4-(2,2-difluoroethoxy)-1-nitrobenzene
CID 155920723
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
3-(3-bromo-4-fluorophenoxy)propane-1-thiol
CID 83238330
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene (CID 83231769) is 2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene is Fc1ccc(OCC(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene?
The InChIKey is SDSOMGXMXQIYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3,8H,4H2.
What are the key properties of 2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene?
2-bromo-4-(2,2-difluoroethoxy)-1-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 2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene is sourced from PubChem (CID 83231769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).