1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid

C10H15F6NO3S — CID 154516790

IUPAC1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)CCN1CCCCC1
InChIInChI=1S/C10H15F6NO3S/c11-8(12,4-7-17-5-2-1-3-6-17)9(13,14)10(15,16)21(18,19)20/h1-7H2,(H,18,19,20)
InChIKeyGOPZZXGCDJZAOW-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.61
Rot. Bonds6

About 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid

1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid (PubChem CID 154516790) has the molecular formula C10H15F6NO3S and a molecular weight of 343.29 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid
PubChem CID154516790
Molecular FormulaC10H15F6NO3S
Molecular Weight343.29 g/mol
Exact Mass343.07
IUPAC Name1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)CCN1CCCCC1
InChIInChI=1S/C10H15F6NO3S/c11-8(12,4-7-17-5-2-1-3-6-17)9(13,14)10(15,16)21(18,19)20/h1-7H2,(H,18,19,20)
InChIKeyGOPZZXGCDJZAOW-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(azocan-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 87431538
7,13-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,4,10-trioxa-7,13-diazacyclooctadecane
CID 101033486
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
2,2-difluoro-4-piperidin-1-ylbutan-1-amine
CID 69130450
dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate
CID 67645808
azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,12,12,12-heptadecafluorododecane-1-sulfonic acid
CID 175161760
2-piperidin-1-ylethyl(sulfo)sulfamic acid
CID 15889426
potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride
CID 173109555
1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonic acid;tetraethylazanium
CID 175360661
azane;1,1,2,2,3,3,4,4,5,5,6,6,12,12,12-pentadecafluorododecane-1-sulfonic acid
CID 175159561
1-(3,3-dimethylbutyl)azocane
CID 166986973
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid (CID 154516790) is 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)CCN1CCCCC1.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid?
The InChIKey is GOPZZXGCDJZAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO3S/c11-8(12,4-7-17-5-2-1-3-6-17)9(13,14)10(15,16)21(18,19)20/h1-7H2,(H,18,19,20).
What are the key properties of 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid?
1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid has a molecular weight of 343.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-5-piperidin-1-ylpentane-1-sulfonic acid is sourced from PubChem (CID 154516790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).