2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid

C8H3F13O2 — CID 163324893

IUPAC2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H3F13O2/c9-3(10,1-4(11,12)13)6(16,17)8(20,21)7(18,19)5(14,15)2(22)23/h1H2,(H,22,23)
InChIKeyDPQQJVHQPPNUIR-UHFFFAOYSA-N
MW378.08 g/mol
LogP4.20
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid

2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid (PubChem CID 163324893) has the molecular formula C8H3F13O2 and a molecular weight of 378.08 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid
PubChem CID163324893
Molecular FormulaC8H3F13O2
Molecular Weight378.08 g/mol
Exact Mass377.99
IUPAC Name2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H3F13O2/c9-3(10,1-4(11,12)13)6(16,17)8(20,21)7(18,19)5(14,15)2(22)23/h1H2,(H,22,23)
InChIKeyDPQQJVHQPPNUIR-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.08
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic 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

2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid
CID 4118201
azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid
CID 173106088
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
CID 87197616
CID 87197616
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CID 87460602
CID 87771874
CID 87771874
alumane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 175046918
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
azane;bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid)
CID 175748191
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 170845067

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid (CID 163324893) is 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid is O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid?
The InChIKey is DPQQJVHQPPNUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O2/c9-3(10,1-4(11,12)13)6(16,17)8(20,21)7(18,19)5(14,15)2(22)23/h1H2,(H,22,23).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid?
2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid has a molecular weight of 378.08 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid is sourced from PubChem (CID 163324893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).