8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile

C23H20FN2+ — CID 154615164

IUPAC8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile
SMILESCc1cc(C#N)c2c(c1-c1cccc[n+]1C)C(C)(C)c1c(F)cccc1-2
InChIInChI=1S/C23H20FN2/c1-14-12-15(13-25)20-16-8-7-9-17(24)21(16)23(2,3)22(20)19(14)18-10-5-6-11-26(18)4/h5-12H,1-4H3/q+1
InChIKeyWUEWAUPEQQZOEY-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.80
Rot. Bonds1

About 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile

8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile (PubChem CID 154615164) has the molecular formula C23H20FN2+ and a molecular weight of 343.43 g/mol. Its IUPAC name is 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile.

Molecular Properties

Compound Name8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile
PubChem CID154615164
Molecular FormulaC23H20FN2+
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile
SMILESCc1cc(C#N)c2c(c1-c1cccc[n+]1C)C(C)(C)c1c(F)cccc1-2
InChIInChI=1S/C23H20FN2/c1-14-12-15(13-25)20-16-8-7-9-17(24)21(16)23(2,3)22(20)19(14)18-10-5-6-11-26(18)4/h5-12H,1-4H3/q+1
InChIKeyWUEWAUPEQQZOEY-UHFFFAOYSA-N
XLogP4.80
TPSA27.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile?
The IUPAC name of 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile (CID 154615164) is 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile.
What is the SMILES notation for 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile?
The canonical SMILES for 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile is Cc1cc(C#N)c2c(c1-c1cccc[n+]1C)C(C)(C)c1c(F)cccc1-2.
What is the InChIKey of 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile?
The InChIKey is WUEWAUPEQQZOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN2/c1-14-12-15(13-25)20-16-8-7-9-17(24)21(16)23(2,3)22(20)19(14)18-10-5-6-11-26(18)4/h5-12H,1-4H3/q+1.
What are the key properties of 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile?
8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile has a molecular weight of 343.43 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile is sourced from PubChem (CID 154615164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).