tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane

C19H24F13NSi — CID 10098817

IUPACtri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C19H24F13NSi/c1-10(2)34(11(3)4,12(5)6)33-8-7-13(9-33)14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h7-12H,1-6H3
InChIKeyJOLFWVPEWGZMIU-UHFFFAOYSA-N
MW541.47 g/mol
LogP8.71
Rot. Bonds9

About tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane

tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane (PubChem CID 10098817) has the molecular formula C19H24F13NSi and a molecular weight of 541.47 g/mol. Its IUPAC name is tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane
PubChem CID10098817
Molecular FormulaC19H24F13NSi
Molecular Weight541.47 g/mol
Exact Mass541.15
IUPAC Nametri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C19H24F13NSi/c1-10(2)34(11(3)4,12(5)6)33-8-7-13(9-33)14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h7-12H,1-6H3
InChIKeyJOLFWVPEWGZMIU-UHFFFAOYSA-N
XLogP8.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.47
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane?
The IUPAC name of tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane (CID 10098817) is tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane.
What is the SMILES notation for tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane?
The canonical SMILES for tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane?
The InChIKey is JOLFWVPEWGZMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F13NSi/c1-10(2)34(11(3)4,12(5)6)33-8-7-13(9-33)14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h7-12H,1-6H3.
What are the key properties of tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane?
tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane has a molecular weight of 541.47 g/mol, XLogP of 8.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrol-1-yl]silane is sourced from PubChem (CID 10098817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).