9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene

C17H17Br — CID 11066754

IUPAC9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene
SMILES[2H]C([2H])([2H])C(Br)(C([2H])([2H])[2H])C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17Br/c1-16(2,18)17(3)14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-11H,1-3H3/i1D3,2D3
InChIKeyCKYJGHWPKOPSJO-WFGJKAKNSA-N
MW307.26 g/mol
LogP5.15
Rot. Bonds3

About 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene

9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene (PubChem CID 11066754) has the molecular formula C17H17Br and a molecular weight of 307.26 g/mol. Its IUPAC name is 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene.

Molecular Properties

Compound Name9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene
PubChem CID11066754
Molecular FormulaC17H17Br
Molecular Weight307.26 g/mol
Exact Mass306.09
IUPAC Name9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene
SMILES[2H]C([2H])([2H])C(Br)(C([2H])([2H])[2H])C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17Br/c1-16(2,18)17(3)14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-11H,1-3H3/i1D3,2D3
InChIKeyCKYJGHWPKOPSJO-WFGJKAKNSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.26
LogP ≤ 55.15
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 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene?
The IUPAC name of 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene (CID 11066754) is 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene.
What is the SMILES notation for 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene?
The canonical SMILES for 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene is [2H]C([2H])([2H])C(Br)(C([2H])([2H])[2H])C1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene?
The InChIKey is CKYJGHWPKOPSJO-WFGJKAKNSA-N. The full InChI is InChI=1S/C17H17Br/c1-16(2,18)17(3)14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-11H,1-3H3/i1D3,2D3.
What are the key properties of 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene?
9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene has a molecular weight of 307.26 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene is sourced from PubChem (CID 11066754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).