2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene

C12H15BrClF — CID 64720594

IUPAC2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
SMILESCC(Br)CC(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15BrClF/c1-8(6-9(2)13)7-10-11(14)4-3-5-12(10)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIESCQMUDYNZTCC-UHFFFAOYSA-N
MW293.61 g/mol
LogP4.83
Rot. Bonds4

About 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene

2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene (PubChem CID 64720594) has the molecular formula C12H15BrClF and a molecular weight of 293.61 g/mol. Its IUPAC name is 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene.

Molecular Properties

Compound Name2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
PubChem CID64720594
Molecular FormulaC12H15BrClF
Molecular Weight293.61 g/mol
Exact Mass292.00
IUPAC Name2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
SMILESCC(Br)CC(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15BrClF/c1-8(6-9(2)13)7-10-11(14)4-3-5-12(10)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIESCQMUDYNZTCC-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.61
LogP ≤ 54.83
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

5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
2-(2-bromo-4,5,5-trimethylhexyl)-1-chloro-3-fluorobenzene
CID 63834399
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
4-(2-chloro-6-fluorophenyl)-3-methylbutanethioamide
CID 83925258
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63436939
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene?
The IUPAC name of 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene (CID 64720594) is 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene.
What is the SMILES notation for 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene?
The canonical SMILES for 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene is CC(Br)CC(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene?
The InChIKey is IESCQMUDYNZTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClF/c1-8(6-9(2)13)7-10-11(14)4-3-5-12(10)15/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene?
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene has a molecular weight of 293.61 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene is sourced from PubChem (CID 64720594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).