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

C12H15BrF2O2 — CID 103514497

IUPAC4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene
SMILESCCOc1ccc(C(Br)C(F)F)cc1OCC
InChIInChI=1S/C12H15BrF2O2/c1-3-16-9-6-5-8(11(13)12(14)15)7-10(9)17-4-2/h5-7,11-12H,3-4H2,1-2H3
InChIKeyQUECGUWNQYDGFN-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.19
Rot. Bonds6

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

4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene (PubChem CID 103514497) has the molecular formula C12H15BrF2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene.

Molecular Properties

Compound Name4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene
PubChem CID103514497
Molecular FormulaC12H15BrF2O2
Molecular Weight309.15 g/mol
Exact Mass308.02
IUPAC Name4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene
SMILESCCOc1ccc(C(Br)C(F)F)cc1OCC
InChIInChI=1S/C12H15BrF2O2/c1-3-16-9-6-5-8(11(13)12(14)15)7-10(9)17-4-2/h5-7,11-12H,3-4H2,1-2H3
InChIKeyQUECGUWNQYDGFN-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.19
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

4-(1-bromo-2,2,3,3-tetrafluoropropyl)-1,2-diethoxybenzene
CID 79660552
4-[bromo-(4-iodophenyl)methyl]-1,2-diethoxybenzene
CID 63442066
[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265233
4-[1-bromo-3-(2,2-difluoroethoxy)propyl]-1,2-diethoxybenzene
CID 103210882
1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene
CID 103514520
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
CID 103514645
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
4-(1-bromo-2-ethylbutyl)-1,2-dipropoxybenzene
CID 63440246
4-(1-bromo-2-phenylethyl)-1,2-diethoxybenzene
CID 63442286
4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene
CID 55199459
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene?
The IUPAC name of 4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene (CID 103514497) is 4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene.
What is the SMILES notation for 4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene?
The canonical SMILES for 4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene is CCOc1ccc(C(Br)C(F)F)cc1OCC.
What is the InChIKey of 4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene?
The InChIKey is QUECGUWNQYDGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2O2/c1-3-16-9-6-5-8(11(13)12(14)15)7-10(9)17-4-2/h5-7,11-12H,3-4H2,1-2H3.
What are the key properties of 4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene?
4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene has a molecular weight of 309.15 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene is sourced from PubChem (CID 103514497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).