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

C18H14FNO — CID 172635561

IUPAC6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(C)cc2C12Cc1ccc(F)cc1C2=O
InChIInChI=1S/C18H14FNO/c1-10-3-6-16-15(7-10)18(11(2)20-16)9-12-4-5-13(19)8-14(12)17(18)21/h3-8H,9H2,1-2H3
InChIKeyMZDIWXMQFQCVDX-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.92
Rot. Bonds

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

6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one (PubChem CID 172635561) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one.

Molecular Properties

Compound Name6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one
PubChem CID172635561
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(C)cc2C12Cc1ccc(F)cc1C2=O
InChIInChI=1S/C18H14FNO/c1-10-3-6-16-15(7-10)18(11(2)20-16)9-12-4-5-13(19)8-14(12)17(18)21/h3-8H,9H2,1-2H3
InChIKeyMZDIWXMQFQCVDX-UHFFFAOYSA-N
XLogP3.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.92
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-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
5'-chloro-4-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635571
4-fluoro-2'-methyl-5'-(thiophen-3-yl)spiro[indene-2,3'-indol]-1(3H)-one
CID 172635572

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one?
The IUPAC name of 6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one (CID 172635561) is 6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one.
What is the SMILES notation for 6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one?
The canonical SMILES for 6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one is CC1=Nc2ccc(C)cc2C12Cc1ccc(F)cc1C2=O.
What is the InChIKey of 6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is MZDIWXMQFQCVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-10-3-6-16-15(7-10)18(11(2)20-16)9-12-4-5-13(19)8-14(12)17(18)21/h3-8H,9H2,1-2H3.
What are the key properties of 6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one?
6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one has a molecular weight of 279.31 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2',5'-dimethylspiro[3H-indene-2,3'-indole]-1-one is sourced from PubChem (CID 172635561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).