2,3,11-trifluoroundecane-1-sulfonic acid

C11H21F3O3S — CID 134206558

IUPAC2,3,11-trifluoroundecane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)CCCCCCCCF
InChIInChI=1S/C11H21F3O3S/c12-8-6-4-2-1-3-5-7-10(13)11(14)9-18(15,16)17/h10-11H,1-9H2,(H,15,16,17)
InChIKeyKDHPKBWMFJMODM-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.25
Rot. Bonds11

About 2,3,11-trifluoroundecane-1-sulfonic acid

2,3,11-trifluoroundecane-1-sulfonic acid (PubChem CID 134206558) has the molecular formula C11H21F3O3S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2,3,11-trifluoroundecane-1-sulfonic acid.

Molecular Properties

Compound Name2,3,11-trifluoroundecane-1-sulfonic acid
PubChem CID134206558
Molecular FormulaC11H21F3O3S
Molecular Weight290.35 g/mol
Exact Mass290.12
IUPAC Name2,3,11-trifluoroundecane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)CCCCCCCCF
InChIInChI=1S/C11H21F3O3S/c12-8-6-4-2-1-3-5-7-10(13)11(14)9-18(15,16)17/h10-11H,1-9H2,(H,15,16,17)
InChIKeyKDHPKBWMFJMODM-UHFFFAOYSA-N
XLogP3.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
CID 175164569
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951
lithium 2,3,10-trifluorodecane-1-sulfonate
CID 134207596
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
CID 134206325
1,2,8-trifluorooctane-1-sulfonic acid
CID 87485264
tetraethylazanium;2,3,12-trifluorododecane-1-sulfonate
CID 134207029
azane;1,10,11-trifluorodotriacontane-12-sulfonic acid
CID 175161770
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
sodium 2,3,6-trifluorohexane-1-sulfonate
CID 134207601
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
potassium 2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134207060

Frequently Asked Questions

What is the IUPAC name of 2,3,11-trifluoroundecane-1-sulfonic acid?
The IUPAC name of 2,3,11-trifluoroundecane-1-sulfonic acid (CID 134206558) is 2,3,11-trifluoroundecane-1-sulfonic acid.
What is the SMILES notation for 2,3,11-trifluoroundecane-1-sulfonic acid?
The canonical SMILES for 2,3,11-trifluoroundecane-1-sulfonic acid is O=S(=O)(O)CC(F)C(F)CCCCCCCCF.
What is the InChIKey of 2,3,11-trifluoroundecane-1-sulfonic acid?
The InChIKey is KDHPKBWMFJMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3S/c12-8-6-4-2-1-3-5-7-10(13)11(14)9-18(15,16)17/h10-11H,1-9H2,(H,15,16,17).
What are the key properties of 2,3,11-trifluoroundecane-1-sulfonic acid?
2,3,11-trifluoroundecane-1-sulfonic acid has a molecular weight of 290.35 g/mol, XLogP of 3.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,11-trifluoroundecane-1-sulfonic acid is sourced from PubChem (CID 134206558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).