(3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane

C12H21Br2F2InSi — CID 135005110

IUPAC(3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(F)(F)[In](Br)Br)(C(C)C)C(C)C
InChIInChI=1S/C12H21F2Si.2BrH.In/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14;;;/h9-11H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyDOJSPMRKMUQOOU-UHFFFAOYSA-L
MW506.01 g/mol
LogP5.66
Rot. Bonds4

About (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane

(3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane (PubChem CID 135005110) has the molecular formula C12H21Br2F2InSi and a molecular weight of 506.01 g/mol. Its IUPAC name is (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane
PubChem CID135005110
Molecular FormulaC12H21Br2F2InSi
Molecular Weight506.01 g/mol
Exact Mass503.88
IUPAC Name(3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(F)(F)[In](Br)Br)(C(C)C)C(C)C
InChIInChI=1S/C12H21F2Si.2BrH.In/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14;;;/h9-11H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyDOJSPMRKMUQOOU-UHFFFAOYSA-L
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.01
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane?
The IUPAC name of (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane (CID 135005110) is (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane.
What is the SMILES notation for (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane?
The canonical SMILES for (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane is CC(C)[Si](C#CC(F)(F)[In](Br)Br)(C(C)C)C(C)C.
What is the InChIKey of (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane?
The InChIKey is DOJSPMRKMUQOOU-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H21F2Si.2BrH.In/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14;;;/h9-11H,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane?
(3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane has a molecular weight of 506.01 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dibromoindiganyl-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane is sourced from PubChem (CID 135005110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).