4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene

C12H15Br2F — CID 79739124

IUPAC4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
SMILESCC(Br)CC(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C12H15Br2F/c1-8(13)7-12(2,3)10-6-9(14)4-5-11(10)15/h4-6,8H,7H2,1-3H3
InChIKeyUXTBQSVWGMXPNT-UHFFFAOYSA-N
MW338.06 g/mol
LogP5.04
Rot. Bonds3

About 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene

4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene (PubChem CID 79739124) has the molecular formula C12H15Br2F and a molecular weight of 338.06 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
PubChem CID79739124
Molecular FormulaC12H15Br2F
Molecular Weight338.06 g/mol
Exact Mass335.95
IUPAC Name4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
SMILESCC(Br)CC(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C12H15Br2F/c1-8(13)7-12(2,3)10-6-9(14)4-5-11(10)15/h4-6,8H,7H2,1-3H3
InChIKeyUXTBQSVWGMXPNT-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.06
LogP ≤ 55.04
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

4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 79739119
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 126754947
2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
CID 115262615
1-(4-bromo-2-methylpentan-2-yl)-2,3-difluorobenzene
CID 64716002
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203524
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223587
3-N-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120210
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129813
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197606
1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine
CID 116829830
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]propan-2-one
CID 115235320

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene?
The IUPAC name of 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene (CID 79739124) is 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene is CC(Br)CC(C)(C)c1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene?
The InChIKey is UXTBQSVWGMXPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2F/c1-8(13)7-12(2,3)10-6-9(14)4-5-11(10)15/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene?
4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene has a molecular weight of 338.06 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene is sourced from PubChem (CID 79739124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).