2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid

C6HF11O3 — CID 14492204

IUPAC2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid
SMILESO=C(OO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF11O3/c7-2(8,1(18)20-19)3(9,10)4(11,12)5(13,14)6(15,16)17/h19H
InChIKeyMMKNYRUQKCIDCI-UHFFFAOYSA-N
MW330.05 g/mol
LogP3.11
Rot. Bonds4

About 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid (PubChem CID 14492204) has the molecular formula C6HF11O3 and a molecular weight of 330.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid
PubChem CID14492204
Molecular FormulaC6HF11O3
Molecular Weight330.05 g/mol
Exact Mass329.98
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid
SMILESO=C(OO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF11O3/c7-2(8,1(18)20-19)3(9,10)4(11,12)5(13,14)6(15,16)17/h19H
InChIKeyMMKNYRUQKCIDCI-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.05
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic 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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononaneperoxoate
CID 15687701
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-2-yl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
CID 11115610
tert-butyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 71673045
2,2,2-trifluoroethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 2748479
ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
CID 526468
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,25-pentacontafluoropentacosan-13-one
CID 158650223
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
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 22174013

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid (CID 14492204) is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid is O=C(OO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid?
The InChIKey is MMKNYRUQKCIDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O3/c7-2(8,1(18)20-19)3(9,10)4(11,12)5(13,14)6(15,16)17/h19H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid?
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid has a molecular weight of 330.05 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid is sourced from PubChem (CID 14492204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).