2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene

C13H15BrClF — CID 83149908

IUPAC2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene
SMILESCC(CCl)(Cc1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C13H15BrClF/c1-13(8-15,10-3-4-10)7-9-2-5-11(16)6-12(9)14/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyLSRZLCLJCDOZIZ-UHFFFAOYSA-N
MW305.62 g/mol
LogP4.79
Rot. Bonds4

About 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene

2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene (PubChem CID 83149908) has the molecular formula C13H15BrClF and a molecular weight of 305.62 g/mol. Its IUPAC name is 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene
PubChem CID83149908
Molecular FormulaC13H15BrClF
Molecular Weight305.62 g/mol
Exact Mass304.00
IUPAC Name2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene
SMILESCC(CCl)(Cc1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C13H15BrClF/c1-13(8-15,10-3-4-10)7-9-2-5-11(16)6-12(9)14/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyLSRZLCLJCDOZIZ-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.62
LogP ≤ 54.79
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-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 114349943
3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148242
2-bromo-1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-4-fluorobenzene
CID 112571067
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-3-fluorobenzene
CID 83151393
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene
CID 83150796
3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
CID 83149751
2-bromo-1-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-4-fluorobenzene
CID 79446810
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
CID 107893302
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene
CID 83151729
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
1-(2-bromo-4-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 63408189

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene?
The IUPAC name of 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene (CID 83149908) is 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene is CC(CCl)(Cc1ccc(F)cc1Br)C1CC1.
What is the InChIKey of 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene?
The InChIKey is LSRZLCLJCDOZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClF/c1-13(8-15,10-3-4-10)7-9-2-5-11(16)6-12(9)14/h2,5-6,10H,3-4,7-8H2,1H3.
What are the key properties of 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene?
2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene has a molecular weight of 305.62 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene is sourced from PubChem (CID 83149908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).