1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine

C14H23F2N — CID 142953906

IUPAC1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine
SMILESC/C(F)=C\C=C(/CF)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C14H23F2N/c1-11(16)5-6-12(9-15)13-7-8-17(10-13)14(2,3)4/h5-6,13H,7-10H2,1-4H3/b11-5+,12-6+
InChIKeyGOYVLARWDIVZLD-YDWXAUTNSA-N
MW243.34 g/mol
LogP3.88
Rot. Bonds3

About 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine

1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine (PubChem CID 142953906) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine
PubChem CID142953906
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine
SMILESC/C(F)=C\C=C(/CF)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C14H23F2N/c1-11(16)5-6-12(9-15)13-7-8-17(10-13)14(2,3)4/h5-6,13H,7-10H2,1-4H3/b11-5+,12-6+
InChIKeyGOYVLARWDIVZLD-YDWXAUTNSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.88
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 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine?
The IUPAC name of 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine (CID 142953906) is 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine?
The canonical SMILES for 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine is C/C(F)=C\C=C(/CF)C1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine?
The InChIKey is GOYVLARWDIVZLD-YDWXAUTNSA-N. The full InChI is InChI=1S/C14H23F2N/c1-11(16)5-6-12(9-15)13-7-8-17(10-13)14(2,3)4/h5-6,13H,7-10H2,1-4H3/b11-5+,12-6+.
What are the key properties of 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine?
1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine has a molecular weight of 243.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine is sourced from PubChem (CID 142953906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).