(2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one

C17H13ClFNO — CID 172635597

IUPAC(2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
SMILESC[C@@H]1Nc2ccc(Cl)cc2[C@@]12Cc1cc(F)ccc1C2=O
InChIInChI=1S/C17H13ClFNO/c1-9-17(14-7-11(18)2-5-15(14)20-9)8-10-6-12(19)3-4-13(10)16(17)21/h2-7,9,20H,8H2,1H3/t9-,17+/m0/s1
InChIKeyVNUWZMGDTQYDJL-HUTHGQBESA-N
MW301.75 g/mol
LogP3.97
Rot. Bonds

About (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one

(2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one (PubChem CID 172635597) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
PubChem CID172635597
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name(2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
SMILESC[C@@H]1Nc2ccc(Cl)cc2[C@@]12Cc1cc(F)ccc1C2=O
InChIInChI=1S/C17H13ClFNO/c1-9-17(14-7-11(18)2-5-15(14)20-9)8-10-6-12(19)3-4-13(10)16(17)21/h2-7,9,20H,8H2,1H3/t9-,17+/m0/s1
InChIKeyVNUWZMGDTQYDJL-HUTHGQBESA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone
CID 97448929
5-chloro-3-[2-(4-fluoro-2-methylphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 139248771
(2S,3R)-6-chloro-3-[4-(trifluoromethyl)anilino]spiro[3H-indene-2,2'-cyclohexane]-1,1'-dione
CID 154715342
[(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone
CID 164676981
5-fluoro-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635587
4-fluoro-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635589
6-chloro-5'-fluoro-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635594
4,5'-difluoro-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635598
5'-chloro-4-fluoro-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635599
1'-((4-(tert-butyl)phenyl)sulfonyl)-5'-chloro-6-fluoro-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635614
5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylenespiro[indene-2,3'-indolin]-1(3H)-one
CID 172635626
6-chloro-1'-(2-chloroacetyl)-5'-fluoro-2'-methylenespiro[indene-2,3'-indolin]-1(3H)-one
CID 172635627

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
The IUPAC name of (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one (CID 172635597) is (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one.
What is the SMILES notation for (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
The canonical SMILES for (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one is C[C@@H]1Nc2ccc(Cl)cc2[C@@]12Cc1cc(F)ccc1C2=O.
What is the InChIKey of (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
The InChIKey is VNUWZMGDTQYDJL-HUTHGQBESA-N. The full InChI is InChI=1S/C17H13ClFNO/c1-9-17(14-7-11(18)2-5-15(14)20-9)8-10-6-12(19)3-4-13(10)16(17)21/h2-7,9,20H,8H2,1H3/t9-,17+/m0/s1.
What are the key properties of (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
(2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one has a molecular weight of 301.75 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-chloro-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 172635597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).