2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene

C14H9BrCl2F2O — CID 63427637

IUPAC2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(C(Cl)c2cc(Br)ccc2Cl)c(F)c1
InChIInChI=1S/C14H9BrCl2F2O/c1-20-8-5-11(18)13(12(19)6-8)14(17)9-4-7(15)2-3-10(9)16/h2-6,14H,1H3
InChIKeyDGEOHHVFVXMTRD-UHFFFAOYSA-N
MW382.03 g/mol
LogP5.72
Rot. Bonds3

About 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene

2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene (PubChem CID 63427637) has the molecular formula C14H9BrCl2F2O and a molecular weight of 382.03 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
PubChem CID63427637
Molecular FormulaC14H9BrCl2F2O
Molecular Weight382.03 g/mol
Exact Mass379.92
IUPAC Name2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(C(Cl)c2cc(Br)ccc2Cl)c(F)c1
InChIInChI=1S/C14H9BrCl2F2O/c1-20-8-5-11(18)13(12(19)6-8)14(17)9-4-7(15)2-3-10(9)16/h2-6,14H,1H3
InChIKeyDGEOHHVFVXMTRD-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.03
LogP ≤ 55.72
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

2-[(4-bromo-2-methylphenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
CID 63427678
2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene
CID 55197776
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
4-bromo-2-[bromo-(4-methoxyphenyl)methyl]-1-chlorobenzene
CID 63437208
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
1-(2,5-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966402
2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 61082122
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
CID 63434136
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene?
The IUPAC name of 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene (CID 63427637) is 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene.
What is the SMILES notation for 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene?
The canonical SMILES for 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene is COc1cc(F)c(C(Cl)c2cc(Br)ccc2Cl)c(F)c1.
What is the InChIKey of 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene?
The InChIKey is DGEOHHVFVXMTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2F2O/c1-20-8-5-11(18)13(12(19)6-8)14(17)9-4-7(15)2-3-10(9)16/h2-6,14H,1H3.
What are the key properties of 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene?
2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene has a molecular weight of 382.03 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene is sourced from PubChem (CID 63427637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).