3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid

C8H3F13O4 — CID 150355855

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid
SMILESO=C(O)C(O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O4/c9-3(10,2(24,25)1(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h24-25H,(H,22,23)
InChIKeyGURVLQDDXGRRRV-UHFFFAOYSA-N
MW410.08 g/mol
LogP2.49
Rot. Bonds6

About 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid (PubChem CID 150355855) has the molecular formula C8H3F13O4 and a molecular weight of 410.08 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid
PubChem CID150355855
Molecular FormulaC8H3F13O4
Molecular Weight410.08 g/mol
Exact Mass409.98
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid
SMILESO=C(O)C(O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O4/c9-3(10,2(24,25)1(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h24-25H,(H,22,23)
InChIKeyGURVLQDDXGRRRV-UHFFFAOYSA-N
XLogP2.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.08
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid 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

2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-octatriacontafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)icosanoic acid
CID 139774776
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)propanedioic acid
CID 169091833
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-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;hydrochloride
CID 162574221
2-(1,1,2,2,2-pentafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)propanedioic acid
CID 169091830
CID 87197616
CID 87197616
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251
CID 87771874
CID 87771874
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CID 87460602
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-bis(trifluoromethyl)octanoic acid
CID 139972180
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2-(1,1,2,2,2-pentafluoroethyl)propanedioic acid
CID 169091840
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid
CID 122236803

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid (CID 150355855) is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid is O=C(O)C(O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid?
The InChIKey is GURVLQDDXGRRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O4/c9-3(10,2(24,25)1(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h24-25H,(H,22,23).
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid?
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid has a molecular weight of 410.08 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid is sourced from PubChem (CID 150355855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).