[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene

C13H15Br — CID 116518517

IUPAC[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene
SMILESBrCC1(C2CC2c2ccccc2)CC1
InChIInChI=1S/C13H15Br/c14-9-13(6-7-13)12-8-11(12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyVDRGLCKRZSTFLI-UHFFFAOYSA-N
MW251.17 g/mol
LogP3.97
Rot. Bonds3

About [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene

[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene (PubChem CID 116518517) has the molecular formula C13H15Br and a molecular weight of 251.17 g/mol. Its IUPAC name is [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene.

Molecular Properties

Compound Name[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene
PubChem CID116518517
Molecular FormulaC13H15Br
Molecular Weight251.17 g/mol
Exact Mass250.04
IUPAC Name[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene
SMILESBrCC1(C2CC2c2ccccc2)CC1
InChIInChI=1S/C13H15Br/c14-9-13(6-7-13)12-8-11(12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyVDRGLCKRZSTFLI-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 53.97
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

3-fluoro-3-(2-phenylcyclopropyl)piperidine
CID 116518677
[2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene
CID 116540499
[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
CID 102136520
(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane
CID 125472906
1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol
CID 116516738
N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 116518042
(2-ethylsulfanylcyclopropyl)benzene
CID 123588085
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 171904735
2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol
CID 106663667
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346

Frequently Asked Questions

What is the IUPAC name of [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene?
The IUPAC name of [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene (CID 116518517) is [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene.
What is the SMILES notation for [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene?
The canonical SMILES for [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene is BrCC1(C2CC2c2ccccc2)CC1.
What is the InChIKey of [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene?
The InChIKey is VDRGLCKRZSTFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br/c14-9-13(6-7-13)12-8-11(12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene?
[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene has a molecular weight of 251.17 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene is sourced from PubChem (CID 116518517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).