2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene

C10H11BrF2O2 — CID 82006553

IUPAC2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene
SMILESCOc1ccc(COCC(F)F)cc1Br
InChIInChI=1S/C10H11BrF2O2/c1-14-9-3-2-7(4-8(9)11)5-15-6-10(12)13/h2-4,10H,5-6H2,1H3
InChIKeyJBMQKUDRPPJZMG-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.24
Rot. Bonds5

About 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene

2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene (PubChem CID 82006553) has the molecular formula C10H11BrF2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene
PubChem CID82006553
Molecular FormulaC10H11BrF2O2
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene
SMILESCOc1ccc(COCC(F)F)cc1Br
InChIInChI=1S/C10H11BrF2O2/c1-14-9-3-2-7(4-8(9)11)5-15-6-10(12)13/h2-4,10H,5-6H2,1H3
InChIKeyJBMQKUDRPPJZMG-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149747
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
2-bromo-1-methoxy-4-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179412
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
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2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846729
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448
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CID 64551292

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene?
The IUPAC name of 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene (CID 82006553) is 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene is COc1ccc(COCC(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene?
The InChIKey is JBMQKUDRPPJZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O2/c1-14-9-3-2-7(4-8(9)11)5-15-6-10(12)13/h2-4,10H,5-6H2,1H3.
What are the key properties of 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene?
2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene has a molecular weight of 281.10 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene is sourced from PubChem (CID 82006553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).