(4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine

C17H26FN — CID 174090454

IUPAC(4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine
SMILESC=C/C=C(\C)C(C)C1(C)C/C(=C\C)C(=C(C)F)N1C
InChIInChI=1S/C17H26FN/c1-8-10-12(3)13(4)17(6)11-15(9-2)16(14(5)18)19(17)7/h8-10,13H,1,11H2,2-7H3/b12-10+,15-9+,16-14?
InChIKeyBKDXXGCRFZKVBN-UGKFIZSDSA-N
MW263.40 g/mol
LogP5.00
Rot. Bonds3

About (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine

(4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine (PubChem CID 174090454) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine.

Molecular Properties

Compound Name(4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine
PubChem CID174090454
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name(4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine
SMILESC=C/C=C(\C)C(C)C1(C)C/C(=C\C)C(=C(C)F)N1C
InChIInChI=1S/C17H26FN/c1-8-10-12(3)13(4)17(6)11-15(9-2)16(14(5)18)19(17)7/h8-10,13H,1,11H2,2-7H3/b12-10+,15-9+,16-14?
InChIKeyBKDXXGCRFZKVBN-UGKFIZSDSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine?
The IUPAC name of (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine (CID 174090454) is (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine.
What is the SMILES notation for (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine?
The canonical SMILES for (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine is C=C/C=C(\C)C(C)C1(C)C/C(=C\C)C(=C(C)F)N1C.
What is the InChIKey of (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine?
The InChIKey is BKDXXGCRFZKVBN-UGKFIZSDSA-N. The full InChI is InChI=1S/C17H26FN/c1-8-10-12(3)13(4)17(6)11-15(9-2)16(14(5)18)19(17)7/h8-10,13H,1,11H2,2-7H3/b12-10+,15-9+,16-14?.
What are the key properties of (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine?
(4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine has a molecular weight of 263.40 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine is sourced from PubChem (CID 174090454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).