1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine

C19H34FN — CID 135225593

IUPAC1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine
SMILESCC/C=C(\C=C/CCCCCCF)CCCN1CCCC1
InChIInChI=1S/C19H34FN/c1-2-12-19(13-7-5-3-4-6-8-15-20)14-11-18-21-16-9-10-17-21/h7,12-13H,2-6,8-11,14-18H2,1H3/b13-7-,19-12+
InChIKeyIVLZZKQTLIXBDP-OAFNUXESSA-N
MW295.49 g/mol
LogP5.68
Rot. Bonds12

About 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine

1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine (PubChem CID 135225593) has the molecular formula C19H34FN and a molecular weight of 295.49 g/mol. Its IUPAC name is 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine
PubChem CID135225593
Molecular FormulaC19H34FN
Molecular Weight295.49 g/mol
Exact Mass295.27
IUPAC Name1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine
SMILESCC/C=C(\C=C/CCCCCCF)CCCN1CCCC1
InChIInChI=1S/C19H34FN/c1-2-12-19(13-7-5-3-4-6-8-15-20)14-11-18-21-16-9-10-17-21/h7,12-13H,2-6,8-11,14-18H2,1H3/b13-7-,19-12+
InChIKeyIVLZZKQTLIXBDP-OAFNUXESSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.49
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine?
The IUPAC name of 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine (CID 135225593) is 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine.
What is the SMILES notation for 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine?
The canonical SMILES for 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine is CC/C=C(\C=C/CCCCCCF)CCCN1CCCC1.
What is the InChIKey of 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine?
The InChIKey is IVLZZKQTLIXBDP-OAFNUXESSA-N. The full InChI is InChI=1S/C19H34FN/c1-2-12-19(13-7-5-3-4-6-8-15-20)14-11-18-21-16-9-10-17-21/h7,12-13H,2-6,8-11,14-18H2,1H3/b13-7-,19-12+.
What are the key properties of 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine?
1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine has a molecular weight of 295.49 g/mol, XLogP of 5.68, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine is sourced from PubChem (CID 135225593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).