trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane

C9H3F19OS — CID 14786217

IUPACtrifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(F)(F)F
InChIInChI=1S/C9H3F19OS/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-29-30(26,27)28/h2H,1H2
InChIKeyKNWJOMCVUITWOE-UHFFFAOYSA-N
MW520.15 g/mol
LogP7.09
Rot. Bonds10

About trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane

trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane (PubChem CID 14786217) has the molecular formula C9H3F19OS and a molecular weight of 520.15 g/mol. Its IUPAC name is trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane.

Molecular Properties

Compound Nametrifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane
PubChem CID14786217
Molecular FormulaC9H3F19OS
Molecular Weight520.15 g/mol
Exact Mass519.96
IUPAC Nametrifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(F)(F)F
InChIInChI=1S/C9H3F19OS/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-29-30(26,27)28/h2H,1H2
InChIKeyKNWJOMCVUITWOE-UHFFFAOYSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.15
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane?
The IUPAC name of trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane (CID 14786217) is trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane.
What is the SMILES notation for trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane?
The canonical SMILES for trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(F)(F)F.
What is the InChIKey of trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane?
The InChIKey is KNWJOMCVUITWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F19OS/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-29-30(26,27)28/h2H,1H2.
What are the key properties of trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane?
trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane has a molecular weight of 520.15 g/mol, XLogP of 7.09, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane is sourced from PubChem (CID 14786217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).