4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one

C21H14FNOS — CID 172635572

IUPAC4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(-c3ccsc3)cc2C12Cc1c(F)cccc1C2=O
InChIInChI=1S/C21H14FNOS/c1-12-21(10-16-15(20(21)24)3-2-4-18(16)22)17-9-13(5-6-19(17)23-12)14-7-8-25-11-14/h2-9,11H,10H2,1H3
InChIKeyODFMKJWZPOXCCS-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.34
Rot. Bonds1

About 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one

4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one (PubChem CID 172635572) has the molecular formula C21H14FNOS and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one.

Molecular Properties

Compound Name4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one
PubChem CID172635572
Molecular FormulaC21H14FNOS
Molecular Weight347.41 g/mol
Exact Mass347.08
IUPAC Name4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(-c3ccsc3)cc2C12Cc1c(F)cccc1C2=O
InChIInChI=1S/C21H14FNOS/c1-12-21(10-16-15(20(21)24)3-2-4-18(16)22)17-9-13(5-6-19(17)23-12)14-7-8-25-11-14/h2-9,11H,10H2,1H3
InChIKeyODFMKJWZPOXCCS-UHFFFAOYSA-N
XLogP5.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one?
The IUPAC name of 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one (CID 172635572) is 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one.
What is the SMILES notation for 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one?
The canonical SMILES for 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one is CC1=Nc2ccc(-c3ccsc3)cc2C12Cc1c(F)cccc1C2=O.
What is the InChIKey of 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is ODFMKJWZPOXCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNOS/c1-12-21(10-16-15(20(21)24)3-2-4-18(16)22)17-9-13(5-6-19(17)23-12)14-7-8-25-11-14/h2-9,11H,10H2,1H3.
What are the key properties of 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one?
4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one has a molecular weight of 347.41 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2'-methyl-5'-thiophen-3-ylspiro[3H-indene-2,3'-indole]-1-one is sourced from PubChem (CID 172635572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).