(11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene

C16H25FN2 — CID 134321892

IUPAC(11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene
SMILESC=C(C)C1CNCC(F)CNCC/C=C\C2C=C1C2
InChIInChI=1S/C16H25FN2/c1-12(2)16-11-19-10-15(17)9-18-6-4-3-5-13-7-14(16)8-13/h3,5,7,13,15-16,18-19H,1,4,6,8-11H2,2H3/b5-3-
InChIKeyRTAFAQJYPQMBGY-HYXAFXHYSA-N
MW264.39 g/mol
LogP2.60
Rot. Bonds1

About (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene

(11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene (PubChem CID 134321892) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene.

Molecular Properties

Compound Name(11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene
PubChem CID134321892
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene
SMILESC=C(C)C1CNCC(F)CNCC/C=C\C2C=C1C2
InChIInChI=1S/C16H25FN2/c1-12(2)16-11-19-10-15(17)9-18-6-4-3-5-13-7-14(16)8-13/h3,5,7,13,15-16,18-19H,1,4,6,8-11H2,2H3/b5-3-
InChIKeyRTAFAQJYPQMBGY-HYXAFXHYSA-N
XLogP2.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene?
The IUPAC name of (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene (CID 134321892) is (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene.
What is the SMILES notation for (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene?
The canonical SMILES for (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene is C=C(C)C1CNCC(F)CNCC/C=C\C2C=C1C2.
What is the InChIKey of (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene?
The InChIKey is RTAFAQJYPQMBGY-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)16-11-19-10-15(17)9-18-6-4-3-5-13-7-14(16)8-13/h3,5,7,13,15-16,18-19H,1,4,6,8-11H2,2H3/b5-3-.
What are the key properties of (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene?
(11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene has a molecular weight of 264.39 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene is sourced from PubChem (CID 134321892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).