1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine

C14H22FN — CID 143075769

IUPAC1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine
SMILESC=C/C=C(\C=C/CF)N1CCC(CCC)C1
InChIInChI=1S/C14H22FN/c1-3-6-13-9-11-16(12-13)14(7-4-2)8-5-10-15/h4-5,7-8,13H,2-3,6,9-12H2,1H3/b8-5-,14-7+
InChIKeyRYZNZCMLFGHIAK-FWODXUKCSA-N
MW223.34 g/mol
LogP3.70
Rot. Bonds6

About 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine

1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine (PubChem CID 143075769) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine.

Molecular Properties

Compound Name1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine
PubChem CID143075769
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine
SMILESC=C/C=C(\C=C/CF)N1CCC(CCC)C1
InChIInChI=1S/C14H22FN/c1-3-6-13-9-11-16(12-13)14(7-4-2)8-5-10-15/h4-5,7-8,13H,2-3,6,9-12H2,1H3/b8-5-,14-7+
InChIKeyRYZNZCMLFGHIAK-FWODXUKCSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E,5E)-6-fluorohepta-1,3,5-trien-4-yl]-2-methylpyrrolidine
CID 130392713
1-[(3E)-4-fluorohexa-1,3,5-trien-2-yl]-3-methylpyrrolidine
CID 142421995
6-tert-butyl-3-[(3E)-4-fluorohexa-1,3,5-trien-2-yl]-3-azabicyclo[3.1.0]hexane
CID 142422278
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3-methylpyrrolidine
CID 142422467
2,5-Dimethylidene-1-(7,7,7-trifluoro-6-methylheptyl)pyrrole
CID 156093484
(3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine
CID 171516682
(3Z)-N-ethyl-N-[2-[(2S)-2-methylcyclopropyl]ethyl]penta-1,3-dien-2-amine
CID 88379800
(2E)-N,N-dimethyl-4-[2-(2-methylpropyl)pyrrolidin-1-yl]penta-2,4-dien-1-amine
CID 89968934
1-Buta-1,3-dien-2-yl-3-(2,2-dimethylpropyl)pyrrolidine
CID 89968936
1-Buta-1,3-dien-2-yl-3-(2-methylpropyl)pyrrolidine
CID 134371572
1-(3,5-Dimethylheptyl)-2,5-dimethylidenepyrrole
CID 135138733
1-Buta-1,3-dien-2-yl-3-ethylpyrrolidine
CID 138528698

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine?
The IUPAC name of 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine (CID 143075769) is 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine.
What is the SMILES notation for 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine?
The canonical SMILES for 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine is C=C/C=C(\C=C/CF)N1CCC(CCC)C1.
What is the InChIKey of 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine?
The InChIKey is RYZNZCMLFGHIAK-FWODXUKCSA-N. The full InChI is InChI=1S/C14H22FN/c1-3-6-13-9-11-16(12-13)14(7-4-2)8-5-10-15/h4-5,7-8,13H,2-3,6,9-12H2,1H3/b8-5-,14-7+.
What are the key properties of 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine?
1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine has a molecular weight of 223.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine is sourced from PubChem (CID 143075769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).