(2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione

C16H15FN2O2 — CID 101357990

IUPAC(2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione
SMILESCN1C(=O)N(C)[C@@H]2C3C=CC(c4ccccc43)[C@]2(F)C1=O
InChIInChI=1S/C16H15FN2O2/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/h3-8,11-13H,1-2H3/t11?,12?,13-,16-/m1/s1
InChIKeyPSHHGPPCVROSTK-UXTNIJRTSA-N
MW286.31 g/mol
LogP2.04
Rot. Bonds

About (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione

(2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione (PubChem CID 101357990) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione.

Molecular Properties

Compound Name(2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione
PubChem CID101357990
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione
SMILESCN1C(=O)N(C)[C@@H]2C3C=CC(c4ccccc43)[C@]2(F)C1=O
InChIInChI=1S/C16H15FN2O2/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/h3-8,11-13H,1-2H3/t11?,12?,13-,16-/m1/s1
InChIKeyPSHHGPPCVROSTK-UXTNIJRTSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione?
The IUPAC name of (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione (CID 101357990) is (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione.
What is the SMILES notation for (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione?
The canonical SMILES for (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione is CN1C(=O)N(C)[C@@H]2C3C=CC(c4ccccc43)[C@]2(F)C1=O.
What is the InChIKey of (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione?
The InChIKey is PSHHGPPCVROSTK-UXTNIJRTSA-N. The full InChI is InChI=1S/C16H15FN2O2/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/h3-8,11-13H,1-2H3/t11?,12?,13-,16-/m1/s1.
What are the key properties of (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione?
(2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione has a molecular weight of 286.31 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione is sourced from PubChem (CID 101357990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).