4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene

C9H8BrClF2O — CID 103514473

IUPAC4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)C(F)F)cc1Cl
InChIInChI=1S/C9H8BrClF2O/c1-14-7-3-2-5(4-6(7)11)8(10)9(12)13/h2-4,8-9H,1H3
InChIKeyIMWHDQNLRHPXGR-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.05
Rot. Bonds3

About 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene

4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene (PubChem CID 103514473) has the molecular formula C9H8BrClF2O and a molecular weight of 285.52 g/mol. Its IUPAC name is 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene.

Molecular Properties

Compound Name4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
PubChem CID103514473
Molecular FormulaC9H8BrClF2O
Molecular Weight285.52 g/mol
Exact Mass283.94
IUPAC Name4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)C(F)F)cc1Cl
InChIInChI=1S/C9H8BrClF2O/c1-14-7-3-2-5(4-6(7)11)8(10)9(12)13/h2-4,8-9H,1H3
InChIKeyIMWHDQNLRHPXGR-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.05
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-4-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 63439016
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methoxybenzene
CID 115369844
4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene
CID 63439421
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477672
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene
CID 63439370
4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene
CID 66476585
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-5-methylthiophene
CID 63439323
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene?
The IUPAC name of 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene (CID 103514473) is 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene.
What is the SMILES notation for 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene?
The canonical SMILES for 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene is COc1ccc(C(Br)C(F)F)cc1Cl.
What is the InChIKey of 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene?
The InChIKey is IMWHDQNLRHPXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF2O/c1-14-7-3-2-5(4-6(7)11)8(10)9(12)13/h2-4,8-9H,1H3.
What are the key properties of 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene?
4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene has a molecular weight of 285.52 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene is sourced from PubChem (CID 103514473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).