2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium

C18H20FN2+ — CID 15447222

IUPAC2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium
SMILESC[n+]1c(F)cccc1/C=C(/c1ccccc1)N1CCCC1
InChIInChI=1S/C18H20FN2/c1-20-16(10-7-11-18(20)19)14-17(21-12-5-6-13-21)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3/q+1
InChIKeyYPVVZLOIOPWKBH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.24
Rot. Bonds3

About 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium

2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium (PubChem CID 15447222) has the molecular formula C18H20FN2+ and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium.

Molecular Properties

Compound Name2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium
PubChem CID15447222
Molecular FormulaC18H20FN2+
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium
SMILESC[n+]1c(F)cccc1/C=C(/c1ccccc1)N1CCCC1
InChIInChI=1S/C18H20FN2/c1-20-16(10-7-11-18(20)19)14-17(21-12-5-6-13-21)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3/q+1
InChIKeyYPVVZLOIOPWKBH-UHFFFAOYSA-N
XLogP3.24
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes3A(19)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-(2-methylphenyl)-1-phenylethenyl]pyrrolidine
CID 135078220
1-[(E)-2-(2-methylphenyl)-1-phenylethenyl]pyrrolidine
CID 101409440
(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
CID 6377486
(E)-3-(azepan-1-yl)-1,3-diphenylprop-2-en-1-one
CID 11324202
(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579
tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane
CID 177445819
(E)-2-phenyl-2-piperidin-1-ylethenediazonium
CID 134983730
phenyl(pyrrolidin-1-yl)methaneselone
CID 11149100
1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine
CID 54560181
(E)-3-(azepan-1-yl)-3-(4-fluorophenyl)prop-2-enenitrile
CID 97378367
(E)-3-(4-fluorophenyl)-3-piperidin-1-ylprop-2-enenitrile
CID 2106568
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium?
The IUPAC name of 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium (CID 15447222) is 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium.
What is the SMILES notation for 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium?
The canonical SMILES for 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium is C[n+]1c(F)cccc1/C=C(/c1ccccc1)N1CCCC1.
What is the InChIKey of 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium?
The InChIKey is YPVVZLOIOPWKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN2/c1-20-16(10-7-11-18(20)19)14-17(21-12-5-6-13-21)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3/q+1.
What are the key properties of 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium?
2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium has a molecular weight of 283.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium is sourced from PubChem (CID 15447222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).