7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one

C19H19F2NO3 — CID 59745232

IUPAC7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N([C@@H](c2cccc(F)c2)[C@H](O)CO)c2c(F)cccc21
InChIInChI=1S/C19H19F2NO3/c1-19(2)13-7-4-8-14(21)17(13)22(18(19)25)16(15(24)10-23)11-5-3-6-12(20)9-11/h3-9,15-16,23-24H,10H2,1-2H3/t15-,16+/m1/s1
InChIKeyGUADVPMCCPBOTN-CVEARBPZSA-N
MW347.36 g/mol
LogP2.68
Rot. Bonds4

About 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one

7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one (PubChem CID 59745232) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one
PubChem CID59745232
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N([C@@H](c2cccc(F)c2)[C@H](O)CO)c2c(F)cccc21
InChIInChI=1S/C19H19F2NO3/c1-19(2)13-7-4-8-14(21)17(13)22(18(19)25)16(15(24)10-23)11-5-3-6-12(20)9-11/h3-9,15-16,23-24H,10H2,1-2H3/t15-,16+/m1/s1
InChIKeyGUADVPMCCPBOTN-CVEARBPZSA-N
XLogP2.68
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one?
The IUPAC name of 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one (CID 59745232) is 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one.
What is the SMILES notation for 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one?
The canonical SMILES for 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one is CC1(C)C(=O)N([C@@H](c2cccc(F)c2)[C@H](O)CO)c2c(F)cccc21.
What is the InChIKey of 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one?
The InChIKey is GUADVPMCCPBOTN-CVEARBPZSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-19(2)13-7-4-8-14(21)17(13)22(18(19)25)16(15(24)10-23)11-5-3-6-12(20)9-11/h3-9,15-16,23-24H,10H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one?
7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one has a molecular weight of 347.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 59745232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).