(7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone

C19H14F2N4O4 — CID 9003891

IUPAC(7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESO=C1NC(=O)C2(C(=O)N1)[C@@H](c1ccccc1F)NC(=O)N[C@@H]2c1ccccc1F
InChIInChI=1S/C19H14F2N4O4/c20-11-7-3-1-5-9(11)13-19(15(26)24-18(29)25-16(19)27)14(23-17(28)22-13)10-6-2-4-8-12(10)21/h1-8,13-14H,(H2,22,23,28)(H2,24,25,26,27,29)/t13-,14-/m1/s1
InChIKeySUMOXAUYZUFPHK-ZIAGYGMSSA-N
MW400.34 g/mol
LogP1.41
Rot. Bonds2

About (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone

(7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone (PubChem CID 9003891) has the molecular formula C19H14F2N4O4 and a molecular weight of 400.34 g/mol. Its IUPAC name is (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone.

Molecular Properties

Compound Name(7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
PubChem CID9003891
Molecular FormulaC19H14F2N4O4
Molecular Weight400.34 g/mol
Exact Mass400.10
IUPAC Name(7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESO=C1NC(=O)C2(C(=O)N1)[C@@H](c1ccccc1F)NC(=O)N[C@@H]2c1ccccc1F
InChIInChI=1S/C19H14F2N4O4/c20-11-7-3-1-5-9(11)13-19(15(26)24-18(29)25-16(19)27)14(23-17(28)22-13)10-6-2-4-8-12(10)21/h1-8,13-14H,(H2,22,23,28)(H2,24,25,26,27,29)/t13-,14-/m1/s1
InChIKeySUMOXAUYZUFPHK-ZIAGYGMSSA-N
XLogP1.41
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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(7R,11R)-7,11-diphenyl-9-sulfanylidene-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5-trione
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4-(2-fluorophenyl)-N,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
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(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
The IUPAC name of (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone (CID 9003891) is (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone.
What is the SMILES notation for (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
The canonical SMILES for (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone is O=C1NC(=O)C2(C(=O)N1)[C@@H](c1ccccc1F)NC(=O)N[C@@H]2c1ccccc1F.
What is the InChIKey of (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
The InChIKey is SUMOXAUYZUFPHK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H14F2N4O4/c20-11-7-3-1-5-9(11)13-19(15(26)24-18(29)25-16(19)27)14(23-17(28)22-13)10-6-2-4-8-12(10)21/h1-8,13-14H,(H2,22,23,28)(H2,24,25,26,27,29)/t13-,14-/m1/s1.
What are the key properties of (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
(7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone has a molecular weight of 400.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone is sourced from PubChem (CID 9003891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).