(6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione

C17H24F2N2O2 — CID 143402742

IUPAC(6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione
SMILESO=C1NC2C[C@H]2/C=C\CCC(F)(F)CCCC(=O)N2CCCC12
InChIInChI=1S/C17H24F2N2O2/c18-17(19)8-2-1-5-12-11-13(12)20-16(23)14-6-4-10-21(14)15(22)7-3-9-17/h1,5,12-14H,2-4,6-11H2,(H,20,23)/b5-1-/t12-,13?,14?/m1/s1
InChIKeyYOMQUXWLNVCNFK-HHORBQEOSA-N
MW326.39 g/mol
LogP2.64
Rot. Bonds

About (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione

(6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione (PubChem CID 143402742) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione.

Molecular Properties

Compound Name(6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione
PubChem CID143402742
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione
SMILESO=C1NC2C[C@H]2/C=C\CCC(F)(F)CCCC(=O)N2CCCC12
InChIInChI=1S/C17H24F2N2O2/c18-17(19)8-2-1-5-12-11-13(12)20-16(23)14-6-4-10-21(14)15(22)7-3-9-17/h1,5,12-14H,2-4,6-11H2,(H,20,23)/b5-1-/t12-,13?,14?/m1/s1
InChIKeyYOMQUXWLNVCNFK-HHORBQEOSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione?
The IUPAC name of (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione (CID 143402742) is (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione.
What is the SMILES notation for (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione?
The canonical SMILES for (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione is O=C1NC2C[C@H]2/C=C\CCC(F)(F)CCCC(=O)N2CCCC12.
What is the InChIKey of (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione?
The InChIKey is YOMQUXWLNVCNFK-HHORBQEOSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c18-17(19)8-2-1-5-12-11-13(12)20-16(23)14-6-4-10-21(14)15(22)7-3-9-17/h1,5,12-14H,2-4,6-11H2,(H,20,23)/b5-1-/t12-,13?,14?/m1/s1.
What are the key properties of (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione?
(6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione has a molecular weight of 326.39 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7Z)-11,11-difluoro-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione is sourced from PubChem (CID 143402742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).