1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene

C12H14Br2F2O2 — CID 103514520

IUPAC1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene
SMILESCCOc1cc(Br)c(C(Br)C(F)F)cc1OCC
InChIInChI=1S/C12H14Br2F2O2/c1-3-17-9-5-7(11(14)12(15)16)8(13)6-10(9)18-4-2/h5-6,11-12H,3-4H2,1-2H3
InChIKeyYPCXTLGSHZEBQM-UHFFFAOYSA-N
MW388.05 g/mol
LogP4.95
Rot. Bonds6

About 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene

1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene (PubChem CID 103514520) has the molecular formula C12H14Br2F2O2 and a molecular weight of 388.05 g/mol. Its IUPAC name is 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene
PubChem CID103514520
Molecular FormulaC12H14Br2F2O2
Molecular Weight388.05 g/mol
Exact Mass385.93
IUPAC Name1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene
SMILESCCOc1cc(Br)c(C(Br)C(F)F)cc1OCC
InChIInChI=1S/C12H14Br2F2O2/c1-3-17-9-5-7(11(14)12(15)16)8(13)6-10(9)18-4-2/h5-6,11-12H,3-4H2,1-2H3
InChIKeyYPCXTLGSHZEBQM-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.05
LogP ≤ 54.95
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-bromo-2-(1-bromo-2-methylsulfonylpropyl)-4,5-diethoxybenzene
CID 104521513
(1R)-1-(2-bromo-4,5-diethoxyphenyl)propan-1-amine
CID 82759031
4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene
CID 103514497
1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene
CID 103514676
1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
CID 103514645
1-bromo-2-(1-bromohexyl)-4,5-diethoxybenzene
CID 63441595
1-bromo-2-(1-chloro-2-ethylbutyl)-4,5-diethoxybenzene
CID 63433283
1-bromo-2-(1-chloro-3-methylbutyl)-4,5-diethoxybenzene
CID 63432715
1-bromo-4,5-diethoxy-2-iodobenzene
CID 81479058
2-[bromo-(2-bromo-4,5-diethoxyphenyl)methyl]thiophene
CID 63441726
(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4661374
3-[bromo-(2-bromo-4,5-diethoxyphenyl)methyl]thiophene
CID 63441143

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene?
The IUPAC name of 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene (CID 103514520) is 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene.
What is the SMILES notation for 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene?
The canonical SMILES for 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene is CCOc1cc(Br)c(C(Br)C(F)F)cc1OCC.
What is the InChIKey of 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene?
The InChIKey is YPCXTLGSHZEBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2F2O2/c1-3-17-9-5-7(11(14)12(15)16)8(13)6-10(9)18-4-2/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene?
1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene has a molecular weight of 388.05 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene is sourced from PubChem (CID 103514520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).