(2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine

C11H16F3N — CID 145012025

IUPAC(2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine
SMILESC/C=C(\C=C/C[C@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-2-9(11(12,13)14)5-3-6-10-7-4-8-15-10/h2-3,5,10,15H,4,6-8H2,1H3/b5-3-,9-2+/t10-/m0/s1
InChIKeyOLUVOGXNMOWNLT-GEVXLEJPSA-N
MW219.25 g/mol
LogP3.19
Rot. Bonds3

About (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine

(2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine (PubChem CID 145012025) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine
PubChem CID145012025
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine
SMILESC/C=C(\C=C/C[C@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-2-9(11(12,13)14)5-3-6-10-7-4-8-15-10/h2-3,5,10,15H,4,6-8H2,1H3/b5-3-,9-2+/t10-/m0/s1
InChIKeyOLUVOGXNMOWNLT-GEVXLEJPSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
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 (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine?
The IUPAC name of (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine (CID 145012025) is (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine is C/C=C(\C=C/C[C@H]1CCCN1)C(F)(F)F.
What is the InChIKey of (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine?
The InChIKey is OLUVOGXNMOWNLT-GEVXLEJPSA-N. The full InChI is InChI=1S/C11H16F3N/c1-2-9(11(12,13)14)5-3-6-10-7-4-8-15-10/h2-3,5,10,15H,4,6-8H2,1H3/b5-3-,9-2+/t10-/m0/s1.
What are the key properties of (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine?
(2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine has a molecular weight of 219.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine is sourced from PubChem (CID 145012025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).