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

C10H10Br2F2O2 — CID 103514676

IUPAC1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene
SMILESCOc1cc(C(Br)C(F)F)c(OC)cc1Br
InChIInChI=1S/C10H10Br2F2O2/c1-15-7-4-6(11)8(16-2)3-5(7)9(12)10(13)14/h3-4,9-10H,1-2H3
InChIKeyHKCPPBUBAZFGFM-UHFFFAOYSA-N
MW359.99 g/mol
LogP4.17
Rot. Bonds4

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

1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene (PubChem CID 103514676) has the molecular formula C10H10Br2F2O2 and a molecular weight of 359.99 g/mol. Its IUPAC name is 1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene
PubChem CID103514676
Molecular FormulaC10H10Br2F2O2
Molecular Weight359.99 g/mol
Exact Mass357.90
IUPAC Name1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene
SMILESCOc1cc(C(Br)C(F)F)c(OC)cc1Br
InChIInChI=1S/C10H10Br2F2O2/c1-15-7-4-6(11)8(16-2)3-5(7)9(12)10(13)14/h3-4,9-10H,1-2H3
InChIKeyHKCPPBUBAZFGFM-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.99
LogP ≤ 54.17
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-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
CID 105057365
1-bromo-4-(1-bromo-2-methylsulfonylpropyl)-2,5-dimethoxybenzene
CID 105057451
1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
CID 71326987
1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene
CID 103514520
2-(1-bromo-2,2-difluoroethyl)-1-methoxy-4-methylbenzene
CID 103514543
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
1-bromo-4-[bromo-(2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057401
1-bromo-4-[bromo-(4-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057398
1-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057458
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171265464
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312687

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene?
The IUPAC name of 1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene (CID 103514676) is 1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene is COc1cc(C(Br)C(F)F)c(OC)cc1Br.
What is the InChIKey of 1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene?
The InChIKey is HKCPPBUBAZFGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F2O2/c1-15-7-4-6(11)8(16-2)3-5(7)9(12)10(13)14/h3-4,9-10H,1-2H3.
What are the key properties of 1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene?
1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene has a molecular weight of 359.99 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene is sourced from PubChem (CID 103514676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).