5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole

C19H21ClFN — CID 142175426

IUPAC5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole
SMILESC=C/C=C(\CC/C=C\CF)C1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C19H21ClFN/c1-2-6-15(7-4-3-5-14-21)18-12-13-19(22-18)16-8-10-17(20)11-9-16/h2-3,5-6,8-11,18H,1,4,7,12-14H2/b5-3-,15-6+
InChIKeyWBQGPZDSDZPAHR-QFJUEOODSA-N
MW317.84 g/mol
LogP5.71
Rot. Bonds7

About 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole

5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole (PubChem CID 142175426) has the molecular formula C19H21ClFN and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole
PubChem CID142175426
Molecular FormulaC19H21ClFN
Molecular Weight317.84 g/mol
Exact Mass317.13
IUPAC Name5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole
SMILESC=C/C=C(\CC/C=C\CF)C1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C19H21ClFN/c1-2-6-15(7-4-3-5-14-21)18-12-13-19(22-18)16-8-10-17(20)11-9-16/h2-3,5-6,8-11,18H,1,4,7,12-14H2/b5-3-,15-6+
InChIKeyWBQGPZDSDZPAHR-QFJUEOODSA-N
XLogP5.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.84
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole 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

6-(3-Chlorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026744
5-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrole
CID 11019446
2-(4-Chlorophenyl)-3-(4'-fluorophenyl)-6,7-dihydro-5h-1,4-diazepine
CID 25110810
p-Chlorobenzylidene-cyclohexyl-amine
CID 525685
3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine
CID 122231187
N-[(1S)-1-(4-chlorophenyl)-2,2,3,3-tetrafluoropent-4-enyl]-1-phenylethanimine
CID 178251667
4,4-Dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole
CID 11010330
3-(4-chlorophenyl)-2H-azirine
CID 11768757
(1E)-N-Benzyl-1-(4-chlorophenyl)ethan-1-imine
CID 12792992
CID 58915249
CID 58915249
N-[(4-Chlorophenyl)methyl]-1,1-diphenylmethanimine
CID 71441307
1-(4-chlorophenyl)-N-methylethanimine
CID 85579388

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole (CID 142175426) is 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole is C=C/C=C(\CC/C=C\CF)C1CCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole?
The InChIKey is WBQGPZDSDZPAHR-QFJUEOODSA-N. The full InChI is InChI=1S/C19H21ClFN/c1-2-6-15(7-4-3-5-14-21)18-12-13-19(22-18)16-8-10-17(20)11-9-16/h2-3,5-6,8-11,18H,1,4,7,12-14H2/b5-3-,15-6+.
What are the key properties of 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole?
5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole has a molecular weight of 317.84 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(3E,7Z)-9-fluoronona-1,3,7-trien-4-yl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142175426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).