1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene

C14H10BrCl2F — CID 113400098

IUPAC1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1C(Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2F/c1-8-6-10(18)3-4-11(8)14(15)12-7-9(16)2-5-13(12)17/h2-7,14H,1H3
InChIKeyFUHDOWPVJKNVRZ-UHFFFAOYSA-N
MW348.04 g/mol
LogP5.93
Rot. Bonds2

About 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene

1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene (PubChem CID 113400098) has the molecular formula C14H10BrCl2F and a molecular weight of 348.04 g/mol. Its IUPAC name is 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
PubChem CID113400098
Molecular FormulaC14H10BrCl2F
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1C(Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2F/c1-8-6-10(18)3-4-11(8)14(15)12-7-9(16)2-5-13(12)17/h2-7,14H,1H3
InChIKeyFUHDOWPVJKNVRZ-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.04
LogP ≤ 55.93
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

(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 63894185
1-[bromo-(4-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 114028124
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
CID 63444898
4-chloro-2-(difluoromethyl)-1-methylbenzene;1-(difluoromethyl)-4-fluoro-2-methylbenzene;ethane
CID 143887999
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-chloro-2-methylbenzene
CID 114028122
N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268303
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437653
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
2-[bromo-(2-chloro-4-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879876
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203
2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018
(2,5-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879574

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene?
The IUPAC name of 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene (CID 113400098) is 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene is Cc1cc(F)ccc1C(Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene?
The InChIKey is FUHDOWPVJKNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F/c1-8-6-10(18)3-4-11(8)14(15)12-7-9(16)2-5-13(12)17/h2-7,14H,1H3.
What are the key properties of 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene?
1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene has a molecular weight of 348.04 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene is sourced from PubChem (CID 113400098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).