1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine

C10H12F5NO3S — CID 171924657

IUPAC1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine
SMILESO=S(=O)(O)C(F)(F)CCCC(F)(F)F.c1ccncc1
InChIInChI=1S/C5H7F5O3S.C5H5N/c6-4(7,8)2-1-3-5(9,10)14(11,12)13;1-2-4-6-5-3-1/h1-3H2,(H,11,12,13);1-5H
InChIKeyGTJCTTAYVLGLKO-UHFFFAOYSA-N
MW321.27 g/mol
LogP3.28
Rot. Bonds4

About 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine

1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine (PubChem CID 171924657) has the molecular formula C10H12F5NO3S and a molecular weight of 321.27 g/mol. Its IUPAC name is 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine.

Molecular Properties

Compound Name1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine
PubChem CID171924657
Molecular FormulaC10H12F5NO3S
Molecular Weight321.27 g/mol
Exact Mass321.05
IUPAC Name1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine
SMILESO=S(=O)(O)C(F)(F)CCCC(F)(F)F.c1ccncc1
InChIInChI=1S/C5H7F5O3S.C5H5N/c6-4(7,8)2-1-3-5(9,10)14(11,12)13;1-2-4-6-5-3-1/h1-3H2,(H,11,12,13);1-5H
InChIKeyGTJCTTAYVLGLKO-UHFFFAOYSA-N
XLogP3.28
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine?
The IUPAC name of 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine (CID 171924657) is 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine.
What is the SMILES notation for 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine?
The canonical SMILES for 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine is O=S(=O)(O)C(F)(F)CCCC(F)(F)F.c1ccncc1.
What is the InChIKey of 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine?
The InChIKey is GTJCTTAYVLGLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O3S.C5H5N/c6-4(7,8)2-1-3-5(9,10)14(11,12)13;1-2-4-6-5-3-1/h1-3H2,(H,11,12,13);1-5H.
What are the key properties of 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine?
1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine has a molecular weight of 321.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine is sourced from PubChem (CID 171924657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).