9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid

C13H15F11O2 — CID 101432379

IUPAC9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid
SMILESO=C(O)CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F11O2/c14-9(15,7-5-3-1-2-4-6-8(25)26)10(16,17)11(18,19)12(20,21)13(22,23)24/h1-7H2,(H,25,26)
InChIKeyHENXOGPFITTYRE-UHFFFAOYSA-N
MW412.24 g/mol
LogP5.91
Rot. Bonds11

About 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid

9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid (PubChem CID 101432379) has the molecular formula C13H15F11O2 and a molecular weight of 412.24 g/mol. Its IUPAC name is 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid.

Molecular Properties

Compound Name9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid
PubChem CID101432379
Molecular FormulaC13H15F11O2
Molecular Weight412.24 g/mol
Exact Mass412.09
IUPAC Name9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid
SMILESO=C(O)CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F11O2/c14-9(15,7-5-3-1-2-4-6-8(25)26)10(16,17)11(18,19)12(20,21)13(22,23)24/h1-7H2,(H,25,26)
InChIKeyHENXOGPFITTYRE-UHFFFAOYSA-N
XLogP5.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.24
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71357304
5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
CID 18469837
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride
CID 14375284
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;octanoic acid
CID 87266081
5,5,6,6,6-pentafluorohexanoic acid
CID 12017059
2-(12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyloxy)butanedioic acid
CID 175689499
3-[bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]propanoic acid
CID 163324470
3-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]propanoic acid
CID 163324471
3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)propanoic acid
CID 23533173
3-(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-heptatriacontafluoroicosylsulfanyl)propanoic acid
CID 101007593
2,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)undecanoic acid
CID 88617652

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid?
The IUPAC name of 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid (CID 101432379) is 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid.
What is the SMILES notation for 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid?
The canonical SMILES for 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid is O=C(O)CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid?
The InChIKey is HENXOGPFITTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F11O2/c14-9(15,7-5-3-1-2-4-6-8(25)26)10(16,17)11(18,19)12(20,21)13(22,23)24/h1-7H2,(H,25,26).
What are the key properties of 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid?
9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid has a molecular weight of 412.24 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid is sourced from PubChem (CID 101432379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).