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

C9H8BrClF2O — CID 103514539

IUPAC1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)C(F)F)c(Cl)c1
InChIInChI=1S/C9H8BrClF2O/c1-14-5-2-3-6(7(11)4-5)8(10)9(12)13/h2-4,8-9H,1H3
InChIKeyRZTLKVNOSQBSDE-UHFFFAOYSA-N
MW285.51 g/mol
LogP4.05
Rot. Bonds3

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

1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene (PubChem CID 103514539) has the molecular formula C9H8BrClF2O and a molecular weight of 285.51 g/mol. Its IUPAC name is 1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene
PubChem CID103514539
Molecular FormulaC9H8BrClF2O
Molecular Weight285.51 g/mol
Exact Mass283.94
IUPAC Name1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)C(F)F)c(Cl)c1
InChIInChI=1S/C9H8BrClF2O/c1-14-5-2-3-6(7(11)4-5)8(10)9(12)13/h2-4,8-9H,1H3
InChIKeyRZTLKVNOSQBSDE-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 ≤ 500285.51
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-(1-bromo-2-phenylpropyl)-2-chloro-4-methoxybenzene
CID 114028903
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443486
1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63442982
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63443367
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443237
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene?
The IUPAC name of 1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene (CID 103514539) is 1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene.
What is the SMILES notation for 1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene?
The canonical SMILES for 1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene is COc1ccc(C(Br)C(F)F)c(Cl)c1.
What is the InChIKey of 1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene?
The InChIKey is RZTLKVNOSQBSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF2O/c1-14-5-2-3-6(7(11)4-5)8(10)9(12)13/h2-4,8-9H,1H3.
What are the key properties of 1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene?
1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene has a molecular weight of 285.51 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 1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene is sourced from PubChem (CID 103514539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).