1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene

C8H4Br2F4O — CID 169337045

IUPAC1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene
SMILESFc1cc(Br)c(OCC(F)(F)F)cc1Br
InChIInChI=1S/C8H4Br2F4O/c9-4-2-7(5(10)1-6(4)11)15-3-8(12,13)14/h1-2H,3H2
InChIKeyLTAHTYMVCPKOED-UHFFFAOYSA-N
MW351.92 g/mol
LogP4.29
Rot. Bonds2

About 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene

1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene (PubChem CID 169337045) has the molecular formula C8H4Br2F4O and a molecular weight of 351.92 g/mol. Its IUPAC name is 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene
PubChem CID169337045
Molecular FormulaC8H4Br2F4O
Molecular Weight351.92 g/mol
Exact Mass349.86
IUPAC Name1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene
SMILESFc1cc(Br)c(OCC(F)(F)F)cc1Br
InChIInChI=1S/C8H4Br2F4O/c9-4-2-7(5(10)1-6(4)11)15-3-8(12,13)14/h1-2H,3H2
InChIKeyLTAHTYMVCPKOED-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene
CID 155923682
4-bromo-3-(2,2,2-trifluoroethoxy)aniline
CID 99770357
4-bromo-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 59581703
4-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-(2,2,2-trifluoroethoxy)aniline
CID 168581583
4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 134470036
5-bromo-4-fluoro-2-[3-(2,2,2-trifluoroethoxy)propoxy]aniline
CID 103482862
1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
CID 22566588
1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171033015
4-bromo-2,5-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 103843080
2-amino-3-(2-bromo-4,5-difluorophenoxy)-2-methylpropanenitrile
CID 68621920
1-(4-bromo-2,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207612
3-[4-bromo-5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169345835

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene (CID 169337045) is 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene is Fc1cc(Br)c(OCC(F)(F)F)cc1Br.
What is the InChIKey of 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is LTAHTYMVCPKOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F4O/c9-4-2-7(5(10)1-6(4)11)15-3-8(12,13)14/h1-2H,3H2.
What are the key properties of 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene?
1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 351.92 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 169337045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).