1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane

C8H16F7N3Si — CID 150546986

IUPAC1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane
SMILESN[Si](N)(N)CCCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H16F7N3Si/c9-6(10,7(11,12)8(13,14)15)4-2-1-3-5-19(16,17)18/h1-5,16-18H2
InChIKeyIHBKUNSACDSUIF-UHFFFAOYSA-N
MW315.31 g/mol
LogP2.19
Rot. Bonds7

About 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane

1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane (PubChem CID 150546986) has the molecular formula C8H16F7N3Si and a molecular weight of 315.31 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane
PubChem CID150546986
Molecular FormulaC8H16F7N3Si
Molecular Weight315.31 g/mol
Exact Mass315.10
IUPAC Name1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane
SMILESN[Si](N)(N)CCCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H16F7N3Si/c9-6(10,7(11,12)8(13,14)15)4-2-1-3-5-19(16,17)18/h1-5,16-18H2
InChIKeyIHBKUNSACDSUIF-UHFFFAOYSA-N
XLogP2.19
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane
CID 172778542
9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane
CID 172693131
8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane
CID 172706114
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane
CID 172827881
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane
CID 138375960
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane
CID 138375957
CID 136814653
CID 136814653
7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
CID 172814135
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane (CID 150546986) is 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane is N[Si](N)(N)CCCCCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane?
The InChIKey is IHBKUNSACDSUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F7N3Si/c9-6(10,7(11,12)8(13,14)15)4-2-1-3-5-19(16,17)18/h1-5,16-18H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane?
1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane has a molecular weight of 315.31 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane is sourced from PubChem (CID 150546986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).