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

C17H11ClFNO — CID 172635563

IUPAC6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(F)cc2C12Cc1ccc(Cl)cc1C2=O
InChIInChI=1S/C17H11ClFNO/c1-9-17(14-7-12(19)4-5-15(14)20-9)8-10-2-3-11(18)6-13(10)16(17)21/h2-7H,8H2,1H3
InChIKeyOMGQHESIZUDWRQ-UHFFFAOYSA-N
MW299.73 g/mol
LogP4.26
Rot. Bonds

About 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one

6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one (PubChem CID 172635563) has the molecular formula C17H11ClFNO and a molecular weight of 299.73 g/mol. Its IUPAC name is 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one.

Molecular Properties

Compound Name6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
PubChem CID172635563
Molecular FormulaC17H11ClFNO
Molecular Weight299.73 g/mol
Exact Mass299.05
IUPAC Name6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(F)cc2C12Cc1ccc(Cl)cc1C2=O
InChIInChI=1S/C17H11ClFNO/c1-9-17(14-7-12(19)4-5-15(14)20-9)8-10-2-3-11(18)6-13(10)16(17)21/h2-7H,8H2,1H3
InChIKeyOMGQHESIZUDWRQ-UHFFFAOYSA-N
XLogP4.26
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one
CID 134957996
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
5'-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635559
6-fluoro-2',5'-dimethylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635561
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
4,5'-difluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635570
5'-chloro-4-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635571
6-fluoro-2'-phenylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635581
5-fluoro-2'-phenylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635584

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The IUPAC name of 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one (CID 172635563) is 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one.
What is the SMILES notation for 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The canonical SMILES for 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one is CC1=Nc2ccc(F)cc2C12Cc1ccc(Cl)cc1C2=O.
What is the InChIKey of 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is OMGQHESIZUDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO/c1-9-17(14-7-12(19)4-5-15(14)20-9)8-10-2-3-11(18)6-13(10)16(17)21/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one?
6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one has a molecular weight of 299.73 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-fluoro-2'-methylspiro[3H-indene-2,3'-indole]-1-one is sourced from PubChem (CID 172635563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).