8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane

C24H44F9NSi — CID 172730667

IUPAC8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane
SMILESN[Si](CCCCCCCC(F)(F)F)(CCCCCCCC(F)(F)F)CCCCCCCC(F)(F)F
InChIInChI=1S/C24H44F9NSi/c25-22(26,27)16-10-4-1-7-13-19-35(34,20-14-8-2-5-11-17-23(28,29)30)21-15-9-3-6-12-18-24(31,32)33/h1-21,34H2
InChIKeyHTDJJGCXCGXISS-UHFFFAOYSA-N
MW545.69 g/mol
LogP10.60
Rot. Bonds21

About 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane

8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane (PubChem CID 172730667) has the molecular formula C24H44F9NSi and a molecular weight of 545.69 g/mol. Its IUPAC name is 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane.

Molecular Properties

Compound Name8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane
PubChem CID172730667
Molecular FormulaC24H44F9NSi
Molecular Weight545.69 g/mol
Exact Mass545.31
IUPAC Name8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane
SMILESN[Si](CCCCCCCC(F)(F)F)(CCCCCCCC(F)(F)F)CCCCCCCC(F)(F)F
InChIInChI=1S/C24H44F9NSi/c25-22(26,27)16-10-4-1-7-13-19-35(34,20-14-8-2-5-11-17-23(28,29)30)21-15-9-3-6-12-18-24(31,32)33/h1-21,34H2
InChIKeyHTDJJGCXCGXISS-UHFFFAOYSA-N
XLogP10.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 510.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane with MolForge

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Related Compounds

10,10,10-trifluorodecan-1-amine
CID 151642080
triethoxy(6,6,6-trifluorohexyl)silane
CID 140708883
1,1,1,10-tetrafluorodecane
CID 150433562
8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane
CID 172706114
1,1,1-trifluoro-20,20-dimethylhenicosane
CID 152547440
1,1,1-trifluorohexadecane
CID 15685316
6-chloro-1,1,1-trifluorohexane
CID 54556371
1,1,1,2,2,3,3-heptafluoro-8-triaminosilyloctane
CID 150546986
6-(10,10,10-trifluorodecyl)pyridin-2-amine
CID 151361803
1,1,6,6,6-pentafluorohexan-1-ol
CID 143019426
bis(6,6,6-trifluorohexyl) carbonate
CID 175170485
7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane
CID 172778542

Frequently Asked Questions

What is the IUPAC name of 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane?
The IUPAC name of 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane (CID 172730667) is 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane.
What is the SMILES notation for 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane?
The canonical SMILES for 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane is N[Si](CCCCCCCC(F)(F)F)(CCCCCCCC(F)(F)F)CCCCCCCC(F)(F)F.
What is the InChIKey of 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane?
The InChIKey is HTDJJGCXCGXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44F9NSi/c25-22(26,27)16-10-4-1-7-13-19-35(34,20-14-8-2-5-11-17-23(28,29)30)21-15-9-3-6-12-18-24(31,32)33/h1-21,34H2.
What are the key properties of 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane?
8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane has a molecular weight of 545.69 g/mol, XLogP of 10.60, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane is sourced from PubChem (CID 172730667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).