(2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene

C17H17FO — CID 154713758

IUPAC(2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene
SMILESCCO[C@]1(c2ccccc2)c2ccccc2C[C@@H]1F
InChIInChI=1S/C17H17FO/c1-2-19-17(14-9-4-3-5-10-14)15-11-7-6-8-13(15)12-16(17)18/h3-11,16H,2,12H2,1H3/t16-,17+/m0/s1
InChIKeyXVIYJLVHGAZVQL-DLBZAZTESA-N
MW256.32 g/mol
LogP3.86
Rot. Bonds3

About (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene

(2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene (PubChem CID 154713758) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene.

Molecular Properties

Compound Name(2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene
PubChem CID154713758
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name(2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene
SMILESCCO[C@]1(c2ccccc2)c2ccccc2C[C@@H]1F
InChIInChI=1S/C17H17FO/c1-2-19-17(14-9-4-3-5-10-14)15-11-7-6-8-13(15)12-16(17)18/h3-11,16H,2,12H2,1H3/t16-,17+/m0/s1
InChIKeyXVIYJLVHGAZVQL-DLBZAZTESA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene?
The IUPAC name of (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene (CID 154713758) is (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene.
What is the SMILES notation for (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene?
The canonical SMILES for (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene is CCO[C@]1(c2ccccc2)c2ccccc2C[C@@H]1F.
What is the InChIKey of (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene?
The InChIKey is XVIYJLVHGAZVQL-DLBZAZTESA-N. The full InChI is InChI=1S/C17H17FO/c1-2-19-17(14-9-4-3-5-10-14)15-11-7-6-8-13(15)12-16(17)18/h3-11,16H,2,12H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene?
(2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene has a molecular weight of 256.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene is sourced from PubChem (CID 154713758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).