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

C11H13BrClF — CID 103041716

IUPAC4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene
SMILESCC(CBr)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13BrClF/c1-8(7-12)2-3-9-4-5-11(14)10(13)6-9/h4-6,8H,2-3,7H2,1H3
InChIKeyIZZPOUAIUHBUGM-UHFFFAOYSA-N
MW279.58 g/mol
LogP4.44
Rot. Bonds4

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

4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene (PubChem CID 103041716) has the molecular formula C11H13BrClF and a molecular weight of 279.58 g/mol. Its IUPAC name is 4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene.

Molecular Properties

Compound Name4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene
PubChem CID103041716
Molecular FormulaC11H13BrClF
Molecular Weight279.58 g/mol
Exact Mass277.99
IUPAC Name4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene
SMILESCC(CBr)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13BrClF/c1-8(7-12)2-3-9-4-5-11(14)10(13)6-9/h4-6,8H,2-3,7H2,1H3
InChIKeyIZZPOUAIUHBUGM-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.58
LogP ≤ 54.44
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

1-(4-bromo-3-methylbutyl)-4-chlorobenzene
CID 64673348
2-chloro-4-(3-chloropentyl)-1-fluorobenzene
CID 103040835
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080
2-chloro-4-(4-chlorohexyl)-1-fluorobenzene
CID 103041700
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202766
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylpropanamide
CID 110790499
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
N-[(3-chloro-4-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63476474
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297
4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene
CID 103041712
4-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-chloro-1-fluorobenzene
CID 103042082
4-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
CID 82471704

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene?
The IUPAC name of 4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene (CID 103041716) is 4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene.
What is the SMILES notation for 4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene?
The canonical SMILES for 4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene is CC(CBr)CCc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene?
The InChIKey is IZZPOUAIUHBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClF/c1-8(7-12)2-3-9-4-5-11(14)10(13)6-9/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene?
4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene has a molecular weight of 279.58 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene is sourced from PubChem (CID 103041716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).