2-(1-bromopropan-2-yl)-9H-fluorene

C16H15Br — CID 66469849

IUPAC2-(1-bromopropan-2-yl)-9H-fluorene
SMILESCC(CBr)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H15Br/c1-11(10-17)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3
InChIKeyVXQFBOWVSKIFAF-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.76
Rot. Bonds2

About 2-(1-bromopropan-2-yl)-9H-fluorene

2-(1-bromopropan-2-yl)-9H-fluorene (PubChem CID 66469849) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(1-bromopropan-2-yl)-9H-fluorene.

Molecular Properties

Compound Name2-(1-bromopropan-2-yl)-9H-fluorene
PubChem CID66469849
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name2-(1-bromopropan-2-yl)-9H-fluorene
SMILESCC(CBr)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H15Br/c1-11(10-17)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3
InChIKeyVXQFBOWVSKIFAF-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.76
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 2-(1-bromopropan-2-yl)-9H-fluorene?
The IUPAC name of 2-(1-bromopropan-2-yl)-9H-fluorene (CID 66469849) is 2-(1-bromopropan-2-yl)-9H-fluorene.
What is the SMILES notation for 2-(1-bromopropan-2-yl)-9H-fluorene?
The canonical SMILES for 2-(1-bromopropan-2-yl)-9H-fluorene is CC(CBr)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-(1-bromopropan-2-yl)-9H-fluorene?
The InChIKey is VXQFBOWVSKIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br/c1-11(10-17)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-(1-bromopropan-2-yl)-9H-fluorene?
2-(1-bromopropan-2-yl)-9H-fluorene has a molecular weight of 287.20 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropan-2-yl)-9H-fluorene is sourced from PubChem (CID 66469849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).