1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene

C14H10Br2ClF — CID 107099304

IUPAC1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene
SMILESCc1c(Cl)cccc1C(Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10Br2ClF/c1-8-10(3-2-4-12(8)17)14(16)9-5-6-13(18)11(15)7-9/h2-7,14H,1H3
InChIKeyNQCBOSZUYQQUMG-UHFFFAOYSA-N
MW392.49 g/mol
LogP6.03
Rot. Bonds2

About 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene

1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene (PubChem CID 107099304) has the molecular formula C14H10Br2ClF and a molecular weight of 392.49 g/mol. Its IUPAC name is 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene.

Molecular Properties

Compound Name1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene
PubChem CID107099304
Molecular FormulaC14H10Br2ClF
Molecular Weight392.49 g/mol
Exact Mass389.88
IUPAC Name1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene
SMILESCc1c(Cl)cccc1C(Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10Br2ClF/c1-8-10(3-2-4-12(8)17)14(16)9-5-6-13(18)11(15)7-9/h2-7,14H,1H3
InChIKeyNQCBOSZUYQQUMG-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461691
1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene
CID 113403107
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106863207
2-bromo-4-[bromo-(3-methylphenyl)methyl]-1-fluorobenzene
CID 79742867
1-[bromo-(3-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 107099330
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2-fluorobenzene
CID 81263058
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958779
1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene
CID 107099130
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
3-[bromo-(3-bromo-4-fluorophenyl)methyl]-4-methylthiophene
CID 79808350
1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene
CID 63437033

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene?
The IUPAC name of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene (CID 107099304) is 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene.
What is the SMILES notation for 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene?
The canonical SMILES for 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene is Cc1c(Cl)cccc1C(Br)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene?
The InChIKey is NQCBOSZUYQQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClF/c1-8-10(3-2-4-12(8)17)14(16)9-5-6-13(18)11(15)7-9/h2-7,14H,1H3.
What are the key properties of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene?
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene has a molecular weight of 392.49 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene is sourced from PubChem (CID 107099304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).