(4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one

C24H20FNOS — CID 101228226

IUPAC(4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one
SMILESO=C1CC[C@]2(SCC2(c2ccccc2)c2ccccc2)N1c1ccccc1F
InChIInChI=1S/C24H20FNOS/c25-20-13-7-8-14-21(20)26-22(27)15-16-24(26)23(17-28-24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14H,15-17H2/t24-/m1/s1
InChIKeyGORXIBZHHSIUIN-XMMPIXPASA-N
MW389.50 g/mol
LogP5.38
Rot. Bonds3

About (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one

(4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one (PubChem CID 101228226) has the molecular formula C24H20FNOS and a molecular weight of 389.50 g/mol. Its IUPAC name is (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name(4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one
PubChem CID101228226
Molecular FormulaC24H20FNOS
Molecular Weight389.50 g/mol
Exact Mass389.12
IUPAC Name(4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one
SMILESO=C1CC[C@]2(SCC2(c2ccccc2)c2ccccc2)N1c1ccccc1F
InChIInChI=1S/C24H20FNOS/c25-20-13-7-8-14-21(20)26-22(27)15-16-24(26)23(17-28-24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14H,15-17H2/t24-/m1/s1
InChIKeyGORXIBZHHSIUIN-XMMPIXPASA-N
XLogP5.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 290163
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CID 3749903
4-(4-Fluorophenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 613645
5-Phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione
CID 2731961
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CID 4519038
2-(4-Tert-butylphenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4519042
2-(4-Tert-butylphenyl)-3-(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5129441
1-(4-Fluorophenyl)-3,3-diphenylpyrrolidine-2,5-dione
CID 129839878
2,4-Diphenyl-6-(p-tolyl)-4a,7a-dihydrothiopyrano[2,3-c]-pyrrole-5,7(4H,6H)-dione
CID 10093056
3-Benzylsulfanyl-1-methyl-3-phenylindol-2-one
CID 102460553
2-(4-Tert-butylphenyl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 5043362
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CID 42807178

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one?
The IUPAC name of (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one (CID 101228226) is (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one.
What is the SMILES notation for (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one?
The canonical SMILES for (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one is O=C1CC[C@]2(SCC2(c2ccccc2)c2ccccc2)N1c1ccccc1F.
What is the InChIKey of (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one?
The InChIKey is GORXIBZHHSIUIN-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20FNOS/c25-20-13-7-8-14-21(20)26-22(27)15-16-24(26)23(17-28-24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14H,15-17H2/t24-/m1/s1.
What are the key properties of (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one?
(4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one has a molecular weight of 389.50 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one is sourced from PubChem (CID 101228226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).