(2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol

C17H17F2NO2 — CID 68906969

IUPAC(2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1cc(F)cc(F)c1)N1CCc2ccccc21
InChIInChI=1S/C17H17F2NO2/c18-13-7-12(8-14(19)9-13)17(16(22)10-21)20-6-5-11-3-1-2-4-15(11)20/h1-4,7-9,16-17,21-22H,5-6,10H2/t16-,17+/m1/s1
InChIKeySJFSYPMYZOLQET-SJORKVTESA-N
MW305.32 g/mol
LogP2.42
Rot. Bonds4

About (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol

(2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol (PubChem CID 68906969) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol
PubChem CID68906969
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name(2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1cc(F)cc(F)c1)N1CCc2ccccc21
InChIInChI=1S/C17H17F2NO2/c18-13-7-12(8-14(19)9-13)17(16(22)10-21)20-6-5-11-3-1-2-4-15(11)20/h1-4,7-9,16-17,21-22H,5-6,10H2/t16-,17+/m1/s1
InChIKeySJFSYPMYZOLQET-SJORKVTESA-N
XLogP2.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol?
The IUPAC name of (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol (CID 68906969) is (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol?
The canonical SMILES for (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol is OC[C@@H](O)[C@H](c1cc(F)cc(F)c1)N1CCc2ccccc21.
What is the InChIKey of (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol?
The InChIKey is SJFSYPMYZOLQET-SJORKVTESA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-13-7-12(8-14(19)9-13)17(16(22)10-21)20-6-5-11-3-1-2-4-15(11)20/h1-4,7-9,16-17,21-22H,5-6,10H2/t16-,17+/m1/s1.
What are the key properties of (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol?
(2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol has a molecular weight of 305.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol is sourced from PubChem (CID 68906969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).