1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane

C4H6F9N3Si — CID 139751434

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane
SMILESN[Si](N)(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F9N3Si/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h14-16H2
InChIKeyFFONYNCWPLETQN-UHFFFAOYSA-N
MW295.18 g/mol
LogP0.81
Rot. Bonds3

About 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane

1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane (PubChem CID 139751434) has the molecular formula C4H6F9N3Si and a molecular weight of 295.18 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane
PubChem CID139751434
Molecular FormulaC4H6F9N3Si
Molecular Weight295.18 g/mol
Exact Mass295.02
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane
SMILESN[Si](N)(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F9N3Si/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h14-16H2
InChIKeyFFONYNCWPLETQN-UHFFFAOYSA-N
XLogP0.81
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[diamino(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)silyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
CID 172721781
dichloro-fluoro-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecyl)silane
CID 90422011
trichloro(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontafluorohexadecyl)silane
CID 155573710
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl(trihydroxy)silane
CID 22610622
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane
CID 87608961
dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane
CID 141389193
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane
CID 175552208

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane (CID 139751434) is 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane is N[Si](N)(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane?
The InChIKey is FFONYNCWPLETQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F9N3Si/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h14-16H2.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane?
1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane has a molecular weight of 295.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane is sourced from PubChem (CID 139751434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).