2,3,4,5,10-pentafluorodecane-1-sulfonic acid

C10H17F5O3S — CID 134206413

IUPAC2,3,4,5,10-pentafluorodecane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)C(F)C(F)CCCCCF
InChIInChI=1S/C10H17F5O3S/c11-5-3-1-2-4-7(12)9(14)10(15)8(13)6-19(16,17)18/h7-10H,1-6H2,(H,16,17,18)
InChIKeyCMSIPOJZAOPXBL-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.76
Rot. Bonds10

About 2,3,4,5,10-pentafluorodecane-1-sulfonic acid

2,3,4,5,10-pentafluorodecane-1-sulfonic acid (PubChem CID 134206413) has the molecular formula C10H17F5O3S and a molecular weight of 312.30 g/mol. Its IUPAC name is 2,3,4,5,10-pentafluorodecane-1-sulfonic acid.

Molecular Properties

Compound Name2,3,4,5,10-pentafluorodecane-1-sulfonic acid
PubChem CID134206413
Molecular FormulaC10H17F5O3S
Molecular Weight312.30 g/mol
Exact Mass312.08
IUPAC Name2,3,4,5,10-pentafluorodecane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)C(F)C(F)CCCCCF
InChIInChI=1S/C10H17F5O3S/c11-5-3-1-2-4-7(12)9(14)10(15)8(13)6-19(16,17)18/h7-10H,1-6H2,(H,16,17,18)
InChIKeyCMSIPOJZAOPXBL-UHFFFAOYSA-N
XLogP2.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.76
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

sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
CID 134206325
2,3,11-trifluoroundecane-1-sulfonic acid
CID 134206558
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
CID 175164569
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972
potassium 2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134207060
1,2,8-trifluorooctane-1-sulfonic acid
CID 87485264
1,2,3,4,9-pentafluorononan-1-ol
CID 166745168
azane;1,10,11-trifluorodotriacontane-12-sulfonic acid
CID 175161770
tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134206650

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,10-pentafluorodecane-1-sulfonic acid?
The IUPAC name of 2,3,4,5,10-pentafluorodecane-1-sulfonic acid (CID 134206413) is 2,3,4,5,10-pentafluorodecane-1-sulfonic acid.
What is the SMILES notation for 2,3,4,5,10-pentafluorodecane-1-sulfonic acid?
The canonical SMILES for 2,3,4,5,10-pentafluorodecane-1-sulfonic acid is O=S(=O)(O)CC(F)C(F)C(F)C(F)CCCCCF.
What is the InChIKey of 2,3,4,5,10-pentafluorodecane-1-sulfonic acid?
The InChIKey is CMSIPOJZAOPXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5O3S/c11-5-3-1-2-4-7(12)9(14)10(15)8(13)6-19(16,17)18/h7-10H,1-6H2,(H,16,17,18).
What are the key properties of 2,3,4,5,10-pentafluorodecane-1-sulfonic acid?
2,3,4,5,10-pentafluorodecane-1-sulfonic acid has a molecular weight of 312.30 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,10-pentafluorodecane-1-sulfonic acid is sourced from PubChem (CID 134206413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).