8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane

C16H28F10N2Si — CID 172706114

IUPAC8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane
SMILESN[Si](N)(CCCCCCC(F)(F)C(F)(F)F)CCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C16H28F10N2Si/c17-13(18,15(21,22)23)9-5-1-3-7-11-29(27,28)12-8-4-2-6-10-14(19,20)16(24,25)26/h1-12,27-28H2
InChIKeyDPMJRBMXXBFHHN-UHFFFAOYSA-N
MW466.48 g/mol
LogP6.64
Rot. Bonds14

About 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane

8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane (PubChem CID 172706114) has the molecular formula C16H28F10N2Si and a molecular weight of 466.48 g/mol. Its IUPAC name is 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane.

Molecular Properties

Compound Name8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane
PubChem CID172706114
Molecular FormulaC16H28F10N2Si
Molecular Weight466.48 g/mol
Exact Mass466.19
IUPAC Name8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane
SMILESN[Si](N)(CCCCCCC(F)(F)C(F)(F)F)CCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C16H28F10N2Si/c17-13(18,15(21,22)23)9-5-1-3-7-11-29(27,28)12-8-4-2-6-10-14(19,20)16(24,25)26/h1-12,27-28H2
InChIKeyDPMJRBMXXBFHHN-UHFFFAOYSA-N
XLogP6.64
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-heptafluoro-8-triaminosilyloctane
CID 150546986
1,1,1,2,2-pentafluorononadecane
CID 98452406
8-[amino-bis(8,8,8-trifluorooctyl)silyl]-1,1,1-trifluorooctane
CID 172730667
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
12,12,13,13,13-pentafluorotridecanal
CID 14675646
1,1,1,2,2,5,5,5-octafluoropentane
CID 22457046
1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523
1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
CID 90829003
sodium 4,4,5,5,5-pentafluoropentane-1-thiolate
CID 59109811

Frequently Asked Questions

What is the IUPAC name of 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane?
The IUPAC name of 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane (CID 172706114) is 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane.
What is the SMILES notation for 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane?
The canonical SMILES for 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane is N[Si](N)(CCCCCCC(F)(F)C(F)(F)F)CCCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane?
The InChIKey is DPMJRBMXXBFHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F10N2Si/c17-13(18,15(21,22)23)9-5-1-3-7-11-29(27,28)12-8-4-2-6-10-14(19,20)16(24,25)26/h1-12,27-28H2.
What are the key properties of 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane?
8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane has a molecular weight of 466.48 g/mol, XLogP of 6.64, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[diamino(7,7,8,8,8-pentafluorooctyl)silyl]-1,1,1,2,2-pentafluorooctane is sourced from PubChem (CID 172706114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).