(1-bromo-2-methylpropan-2-yl)benzene

C10H13Br — CID 11138432

IUPAC(1-bromo-2-methylpropan-2-yl)benzene
SMILESCC(C)(CBr)c1ccccc1
InChIInChI=1S/C10H13Br/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyVFTCRBRKJMKHGD-UHFFFAOYSA-N
MW213.12 g/mol
LogP3.36
Rot. Bonds2

About (1-bromo-2-methylpropan-2-yl)benzene

(1-bromo-2-methylpropan-2-yl)benzene (PubChem CID 11138432) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is (1-bromo-2-methylpropan-2-yl)benzene.

Molecular Properties

Compound Name(1-bromo-2-methylpropan-2-yl)benzene
PubChem CID11138432
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name(1-bromo-2-methylpropan-2-yl)benzene
SMILESCC(C)(CBr)c1ccccc1
InChIInChI=1S/C10H13Br/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyVFTCRBRKJMKHGD-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-methylpropan-2-yl)benzene?
The IUPAC name of (1-bromo-2-methylpropan-2-yl)benzene (CID 11138432) is (1-bromo-2-methylpropan-2-yl)benzene.
What is the SMILES notation for (1-bromo-2-methylpropan-2-yl)benzene?
The canonical SMILES for (1-bromo-2-methylpropan-2-yl)benzene is CC(C)(CBr)c1ccccc1.
What is the InChIKey of (1-bromo-2-methylpropan-2-yl)benzene?
The InChIKey is VFTCRBRKJMKHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of (1-bromo-2-methylpropan-2-yl)benzene?
(1-bromo-2-methylpropan-2-yl)benzene has a molecular weight of 213.12 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-methylpropan-2-yl)benzene is sourced from PubChem (CID 11138432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).