2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid

C8HF19O2S — CID 139594170

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C8HF19O2S/c9-2(10,1(28)29)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)30(23,24,25,26)27/h(H,28,29)
InChIKeyAJBZTNALOBRIRR-UHFFFAOYSA-N
MW522.12 g/mol
LogP6.77
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid

2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid (PubChem CID 139594170) has the molecular formula C8HF19O2S and a molecular weight of 522.12 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid
PubChem CID139594170
Molecular FormulaC8HF19O2S
Molecular Weight522.12 g/mol
Exact Mass521.94
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C8HF19O2S/c9-2(10,1(28)29)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)30(23,24,25,26)27/h(H,28,29)
InChIKeyAJBZTNALOBRIRR-UHFFFAOYSA-N
XLogP6.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.12
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid 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 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid (CID 139594170) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid is O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(F)(F)(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid?
The InChIKey is AJBZTNALOBRIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF19O2S/c9-2(10,1(28)29)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)30(23,24,25,26)27/h(H,28,29).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid?
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid has a molecular weight of 522.12 g/mol, XLogP of 6.77, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-λ6-sulfanyl)octanoic acid is sourced from PubChem (CID 139594170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).