4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one

C17H11F2NO — CID 172635570

IUPAC4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(F)cc2C12Cc1c(F)cccc1C2=O
InChIInChI=1S/C17H11F2NO/c1-9-17(13-7-10(18)5-6-15(13)20-9)8-12-11(16(17)21)3-2-4-14(12)19/h2-7H,8H2,1H3
InChIKeyPKTMHQSNZSOQKD-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.75
Rot. Bonds

About 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one

4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one (PubChem CID 172635570) has the molecular formula C17H11F2NO and a molecular weight of 283.28 g/mol. Its IUPAC name is 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one.

Molecular Properties

Compound Name4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
PubChem CID172635570
Molecular FormulaC17H11F2NO
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(F)cc2C12Cc1c(F)cccc1C2=O
InChIInChI=1S/C17H11F2NO/c1-9-17(13-7-10(18)5-6-15(13)20-9)8-12-11(16(17)21)3-2-4-14(12)19/h2-7H,8H2,1H3
InChIKeyPKTMHQSNZSOQKD-UHFFFAOYSA-N
XLogP3.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The IUPAC name of 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one (CID 172635570) is 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one.
What is the SMILES notation for 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The canonical SMILES for 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one is CC1=Nc2ccc(F)cc2C12Cc1c(F)cccc1C2=O.
What is the InChIKey of 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is PKTMHQSNZSOQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO/c1-9-17(13-7-10(18)5-6-15(13)20-9)8-12-11(16(17)21)3-2-4-14(12)19/h2-7H,8H2,1H3.
What are the key properties of 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one has a molecular weight of 283.28 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5'-difluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one is sourced from PubChem (CID 172635570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).