1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium

C9H5F9N+ — CID 20802170

IUPAC1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[n+]1ccccc1
InChIInChI=1S/C9H5F9N/c10-6(11,8(14,15)16)7(12,13)9(17,18)19-4-2-1-3-5-19/h1-5H/q+1
InChIKeyCRBTYINTZYQXEG-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.36
Rot. Bonds3

About 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium

1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium (PubChem CID 20802170) has the molecular formula C9H5F9N+ and a molecular weight of 298.13 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium
PubChem CID20802170
Molecular FormulaC9H5F9N+
Molecular Weight298.13 g/mol
Exact Mass298.03
IUPAC Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[n+]1ccccc1
InChIInChI=1S/C9H5F9N/c10-6(11,8(14,15)16)7(12,13)9(17,18)19-4-2-1-3-5-19/h1-5H/q+1
InChIKeyCRBTYINTZYQXEG-UHFFFAOYSA-N
XLogP3.36
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)pyridin-1-ium-4-yl]propan-1-ol
CID 87827286
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyridin-1-ium
CID 87371946
1-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)pyridin-1-ium
CID 87371913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene
CID 138676934
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-N,N-bis(2-hydroxyethyl)pyridin-1-ium-4-carboxamide;trifluoromethanesulfonate
CID 87830182
(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
CID 139761767
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium (CID 20802170) is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[n+]1ccccc1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium?
The InChIKey is CRBTYINTZYQXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F9N/c10-6(11,8(14,15)16)7(12,13)9(17,18)19-4-2-1-3-5-19/h1-5H/q+1.
What are the key properties of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium?
1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium has a molecular weight of 298.13 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium is sourced from PubChem (CID 20802170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).