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

C10H11BrF2O2 — CID 82006552

IUPAC4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1COCC(F)F
InChIInChI=1S/C10H11BrF2O2/c1-14-9-3-2-8(11)4-7(9)5-15-6-10(12)13/h2-4,10H,5-6H2,1H3
InChIKeyKFZQYHRIXSHFCH-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.24
Rot. Bonds5

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

4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene (PubChem CID 82006552) has the molecular formula C10H11BrF2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene
PubChem CID82006552
Molecular FormulaC10H11BrF2O2
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1COCC(F)F
InChIInChI=1S/C10H11BrF2O2/c1-14-9-3-2-8(11)4-7(9)5-15-6-10(12)13/h2-4,10H,5-6H2,1H3
InChIKeyKFZQYHRIXSHFCH-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

Analyze 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol
CID 162503231
2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006553
N-[[3-(2,2-difluoroethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 82005147
N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
CID 62342039
4-bromo-1-methoxy-2-[(3-methoxy-3-methylbutoxy)methyl]benzene
CID 106666445
4-bromo-1-methoxy-2-(1,1,1-trifluoropropan-2-yloxymethyl)benzene
CID 66276996
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
1-(5-bromo-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473973
4-bromo-1-methoxy-2-(pent-4-enoxymethyl)benzene
CID 79112669
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64573817
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 103289758

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene (CID 82006552) is 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene is COc1ccc(Br)cc1COCC(F)F.
What is the InChIKey of 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene?
The InChIKey is KFZQYHRIXSHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O2/c1-14-9-3-2-8(11)4-7(9)5-15-6-10(12)13/h2-4,10H,5-6H2,1H3.
What are the key properties of 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene?
4-bromo-2-(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 4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene is sourced from PubChem (CID 82006552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).