4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]

C13H16FNS — CID 83069817

IUPAC4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
SMILESCCC1CSC2(CCc3c(F)cccc32)N1
InChIInChI=1S/C13H16FNS/c1-2-9-8-16-13(15-9)7-6-10-11(13)4-3-5-12(10)14/h3-5,9,15H,2,6-8H2,1H3
InChIKeyUVZLEJFOYHVSJP-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.04
Rot. Bonds1

About 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]

4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] (PubChem CID 83069817) has the molecular formula C13H16FNS and a molecular weight of 237.34 g/mol. Its IUPAC name is 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine].

Molecular Properties

Compound Name4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
PubChem CID83069817
Molecular FormulaC13H16FNS
Molecular Weight237.34 g/mol
Exact Mass237.10
IUPAC Name4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
SMILESCCC1CSC2(CCc3c(F)cccc32)N1
InChIInChI=1S/C13H16FNS/c1-2-9-8-16-13(15-9)7-6-10-11(13)4-3-5-12(10)14/h3-5,9,15H,2,6-8H2,1H3
InChIKeyUVZLEJFOYHVSJP-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]?
The IUPAC name of 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] (CID 83069817) is 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine].
What is the SMILES notation for 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]?
The canonical SMILES for 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] is CCC1CSC2(CCc3c(F)cccc32)N1.
What is the InChIKey of 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]?
The InChIKey is UVZLEJFOYHVSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNS/c1-2-9-8-16-13(15-9)7-6-10-11(13)4-3-5-12(10)14/h3-5,9,15H,2,6-8H2,1H3.
What are the key properties of 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]?
4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] has a molecular weight of 237.34 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] is sourced from PubChem (CID 83069817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).