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

C17H14FNO — CID 172635587

IUPAC(2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
SMILESC[C@@H]1Nc2ccccc2[C@@]12Cc1cc(F)ccc1C2=O
InChIInChI=1S/C17H14FNO/c1-10-17(14-4-2-3-5-15(14)19-10)9-11-8-12(18)6-7-13(11)16(17)20/h2-8,10,19H,9H2,1H3/t10-,17+/m0/s1
InChIKeyUTWUOEIJWVXGBM-DYZYQPBXSA-N
MW267.30 g/mol
LogP3.32
Rot. Bonds

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

(2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one (PubChem CID 172635587) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
PubChem CID172635587
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
SMILESC[C@@H]1Nc2ccccc2[C@@]12Cc1cc(F)ccc1C2=O
InChIInChI=1S/C17H14FNO/c1-10-17(14-4-2-3-5-15(14)19-10)9-11-8-12(18)6-7-13(11)16(17)20/h2-8,10,19H,9H2,1H3/t10-,17+/m0/s1
InChIKeyUTWUOEIJWVXGBM-DYZYQPBXSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
The IUPAC name of (2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one (CID 172635587) is (2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one.
What is the SMILES notation for (2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
The canonical SMILES for (2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one is C[C@@H]1Nc2ccccc2[C@@]12Cc1cc(F)ccc1C2=O.
What is the InChIKey of (2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
The InChIKey is UTWUOEIJWVXGBM-DYZYQPBXSA-N. The full InChI is InChI=1S/C17H14FNO/c1-10-17(14-4-2-3-5-15(14)19-10)9-11-8-12(18)6-7-13(11)16(17)20/h2-8,10,19H,9H2,1H3/t10-,17+/m0/s1.
What are the key properties of (2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
(2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one has a molecular weight of 267.30 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5'-fluoro-2-methylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 172635587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).