1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene

C13H15BrF2 — CID 83150796

IUPAC1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene
SMILESCC(CBr)(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H15BrF2/c1-13(8-14,10-3-4-10)7-9-2-5-11(15)6-12(9)16/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyLMTPBIZFAFIBDG-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.32
Rot. Bonds4

About 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene

1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene (PubChem CID 83150796) has the molecular formula C13H15BrF2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene
PubChem CID83150796
Molecular FormulaC13H15BrF2
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene
SMILESCC(CBr)(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H15BrF2/c1-13(8-14,10-3-4-10)7-9-2-5-11(15)6-12(9)16/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyLMTPBIZFAFIBDG-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.32
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-bromo-2,2-dimethylpropyl)-2,4-difluorobenzene
CID 66048183
2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene
CID 83149908
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chloro-4-methylbenzene
CID 106870728
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-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
1-cyclopropyl-1-(2,4-difluorophenyl)ethanol
CID 24749679
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-4-(trifluoromethyl)benzene
CID 83150074
2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene
CID 64561411
2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene
CID 66047963
4-bromo-1-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2-fluorobenzene
CID 112571141
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene?
The IUPAC name of 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene (CID 83150796) is 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene is CC(CBr)(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene?
The InChIKey is LMTPBIZFAFIBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2/c1-13(8-14,10-3-4-10)7-9-2-5-11(15)6-12(9)16/h2,5-6,10H,3-4,7-8H2,1H3.
What are the key properties of 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene?
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene has a molecular weight of 289.16 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene is sourced from PubChem (CID 83150796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).