1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene

C15H11BrClF3O — CID 63443367

IUPAC1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H11BrClF3O/c1-21-9-6-7-11(13(17)8-9)14(16)10-4-2-3-5-12(10)15(18,19)20/h2-8,14H,1H3
InChIKeyRLVXNVFZIPOHEF-UHFFFAOYSA-N
MW379.60 g/mol
LogP5.85
Rot. Bonds3

About 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene

1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene (PubChem CID 63443367) has the molecular formula C15H11BrClF3O and a molecular weight of 379.60 g/mol. Its IUPAC name is 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene
PubChem CID63443367
Molecular FormulaC15H11BrClF3O
Molecular Weight379.60 g/mol
Exact Mass377.96
IUPAC Name1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H11BrClF3O/c1-21-9-6-7-11(13(17)8-9)14(16)10-4-2-3-5-12(10)15(18,19)20/h2-8,14H,1H3
InChIKeyRLVXNVFZIPOHEF-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.60
LogP ≤ 55.85
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-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
CID 63444855
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 65311705
1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443615
1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene
CID 103514539
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443486
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63442982

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene?
The IUPAC name of 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene (CID 63443367) is 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene.
What is the SMILES notation for 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene?
The canonical SMILES for 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene is COc1ccc(C(Br)c2ccccc2C(F)(F)F)c(Cl)c1.
What is the InChIKey of 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene?
The InChIKey is RLVXNVFZIPOHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF3O/c1-21-9-6-7-11(13(17)8-9)14(16)10-4-2-3-5-12(10)15(18,19)20/h2-8,14H,1H3.
What are the key properties of 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene?
1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene has a molecular weight of 379.60 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene is sourced from PubChem (CID 63443367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).