(1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione

C16H17FN2O2 — CID 101093463

IUPAC(1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione
SMILESCN1C(=O)N(C)[C@@H]2[C@H]3CC[C@H](c4ccccc43)[C@]2(F)C1=O
InChIInChI=1S/C16H17FN2O2/c1-18-13-11-7-8-12(10-6-4-3-5-9(10)11)16(13,17)14(20)19(2)15(18)21/h3-6,11-13H,7-8H2,1-2H3/t11-,12+,13+,16+/m0/s1
InChIKeyPQUYZMOLIXSWAJ-VPWBDBDCSA-N
MW288.32 g/mol
LogP2.26
Rot. Bonds

About (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione

(1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione (PubChem CID 101093463) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione.

Molecular Properties

Compound Name(1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione
PubChem CID101093463
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione
SMILESCN1C(=O)N(C)[C@@H]2[C@H]3CC[C@H](c4ccccc43)[C@]2(F)C1=O
InChIInChI=1S/C16H17FN2O2/c1-18-13-11-7-8-12(10-6-4-3-5-9(10)11)16(13,17)14(20)19(2)15(18)21/h3-6,11-13H,7-8H2,1-2H3/t11-,12+,13+,16+/m0/s1
InChIKeyPQUYZMOLIXSWAJ-VPWBDBDCSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione?
The IUPAC name of (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione (CID 101093463) is (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione.
What is the SMILES notation for (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione?
The canonical SMILES for (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione is CN1C(=O)N(C)[C@@H]2[C@H]3CC[C@H](c4ccccc43)[C@]2(F)C1=O.
What is the InChIKey of (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione?
The InChIKey is PQUYZMOLIXSWAJ-VPWBDBDCSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-18-13-11-7-8-12(10-6-4-3-5-9(10)11)16(13,17)14(20)19(2)15(18)21/h3-6,11-13H,7-8H2,1-2H3/t11-,12+,13+,16+/m0/s1.
What are the key properties of (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione?
(1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione has a molecular weight of 288.32 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7R,8R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene-4,6-dione is sourced from PubChem (CID 101093463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).