5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one

C17H12FNO — CID 172635550

IUPAC5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccccc2C12Cc1cc(F)ccc1C2=O
InChIInChI=1S/C17H12FNO/c1-10-17(14-4-2-3-5-15(14)19-10)9-11-8-12(18)6-7-13(11)16(17)20/h2-8H,9H2,1H3
InChIKeyKOKYMKNRVBUPGB-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.61
Rot. Bonds

About 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one

5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one (PubChem CID 172635550) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one.

Molecular Properties

Compound Name5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
PubChem CID172635550
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccccc2C12Cc1cc(F)ccc1C2=O
InChIInChI=1S/C17H12FNO/c1-10-17(14-4-2-3-5-15(14)19-10)9-11-8-12(18)6-7-13(11)16(17)20/h2-8H,9H2,1H3
InChIKeyKOKYMKNRVBUPGB-UHFFFAOYSA-N
XLogP3.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The IUPAC name of 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one (CID 172635550) is 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one.
What is the SMILES notation for 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The canonical SMILES for 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one is CC1=Nc2ccccc2C12Cc1cc(F)ccc1C2=O.
What is the InChIKey of 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is KOKYMKNRVBUPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c1-10-17(14-4-2-3-5-15(14)19-10)9-11-8-12(18)6-7-13(11)16(17)20/h2-8H,9H2,1H3.
What are the key properties of 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one has a molecular weight of 265.29 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one is sourced from PubChem (CID 172635550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).