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

C17H12FNO — CID 172635559

IUPAC5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(F)cc2C12Cc1ccccc1C2=O
InChIInChI=1S/C17H12FNO/c1-10-17(14-8-12(18)6-7-15(14)19-10)9-11-4-2-3-5-13(11)16(17)20/h2-8H,9H2,1H3
InChIKeyZICXZMNUJGQGHW-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 172635559) 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 CID172635559
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(F)cc2C12Cc1ccccc1C2=O
InChIInChI=1S/C17H12FNO/c1-10-17(14-8-12(18)6-7-15(14)19-10)9-11-4-2-3-5-13(11)16(17)20/h2-8H,9H2,1H3
InChIKeyZICXZMNUJGQGHW-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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Related Compounds

1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]phenylmethyl]-
CID 335118
(2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one
CID 134957996
5-Fluoro-2-propyl-3h-indol-3-one
CID 163409590
7-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635546
5-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635550
4-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635551
6-fluoro-2',5'-dimethylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635561
6-chloro-5'-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635563
5,5'-difluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635566
5'-chloro-5-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635567
2',5'-dimethyl-5-(trifluoromethyl)spiro[indene-2,3'-indol]-1(3H)-one
CID 172635569
4,5'-difluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635570

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 172635559) 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=Nc2ccc(F)cc2C12Cc1ccccc1C2=O.
What is the InChIKey of 5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is ZICXZMNUJGQGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c1-10-17(14-8-12(18)6-7-15(14)19-10)9-11-4-2-3-5-13(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 172635559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).