1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene

C10H9BrCl2F2O — CID 103514645

IUPAC1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
SMILESCCOc1cc(Cl)c(C(Br)C(F)F)cc1Cl
InChIInChI=1S/C10H9BrCl2F2O/c1-2-16-8-4-6(12)5(3-7(8)13)9(11)10(14)15/h3-4,9-10H,2H2,1H3
InChIKeyAZGOLMGCLVTESG-UHFFFAOYSA-N
MW333.99 g/mol
LogP5.09
Rot. Bonds4

About 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene

1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene (PubChem CID 103514645) has the molecular formula C10H9BrCl2F2O and a molecular weight of 333.99 g/mol. Its IUPAC name is 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene.

Molecular Properties

Compound Name1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
PubChem CID103514645
Molecular FormulaC10H9BrCl2F2O
Molecular Weight333.99 g/mol
Exact Mass331.92
IUPAC Name1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
SMILESCCOc1cc(Cl)c(C(Br)C(F)F)cc1Cl
InChIInChI=1S/C10H9BrCl2F2O/c1-2-16-8-4-6(12)5(3-7(8)13)9(11)10(14)15/h3-4,9-10H,2H2,1H3
InChIKeyAZGOLMGCLVTESG-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.99
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene
CID 103514520
4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene
CID 103514497
1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874589
1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
CID 82268035
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
1-[bromo-(2-bromo-3-methylphenyl)methyl]-2,5-dichloro-4-ethoxybenzene
CID 107983627
1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene
CID 82987273
1-(1-bromo-3,3,3-trifluoropropyl)-2-chloro-4,5-diethoxybenzene
CID 63445001
1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene
CID 106863254
1-[(2-bromo-3-methylphenyl)-chloromethyl]-2,5-dichloro-4-ethoxybenzene
CID 107983624
1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
CID 116915052
1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine
CID 82304919

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene?
The IUPAC name of 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene (CID 103514645) is 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene.
What is the SMILES notation for 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene?
The canonical SMILES for 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene is CCOc1cc(Cl)c(C(Br)C(F)F)cc1Cl.
What is the InChIKey of 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene?
The InChIKey is AZGOLMGCLVTESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2F2O/c1-2-16-8-4-6(12)5(3-7(8)13)9(11)10(14)15/h3-4,9-10H,2H2,1H3.
What are the key properties of 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene?
1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene has a molecular weight of 333.99 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene is sourced from PubChem (CID 103514645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).