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

C18H19FO — CID 154713759

IUPAC(2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene
SMILESCC(C)O[C@]1(c2ccccc2)c2ccccc2C[C@@H]1F
InChIInChI=1S/C18H19FO/c1-13(2)20-18(15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-17(18)19/h3-11,13,17H,12H2,1-2H3/t17-,18+/m0/s1
InChIKeyNCZBQEQAHLTMAG-ZWKOTPCHSA-N
MW270.35 g/mol
LogP4.25
Rot. Bonds3

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

(2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene (PubChem CID 154713759) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is (2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene.

Molecular Properties

Compound Name(2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene
PubChem CID154713759
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name(2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene
SMILESCC(C)O[C@]1(c2ccccc2)c2ccccc2C[C@@H]1F
InChIInChI=1S/C18H19FO/c1-13(2)20-18(15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-17(18)19/h3-11,13,17H,12H2,1-2H3/t17-,18+/m0/s1
InChIKeyNCZBQEQAHLTMAG-ZWKOTPCHSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene?
The IUPAC name of (2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene (CID 154713759) is (2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene.
What is the SMILES notation for (2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene?
The canonical SMILES for (2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene is CC(C)O[C@]1(c2ccccc2)c2ccccc2C[C@@H]1F.
What is the InChIKey of (2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene?
The InChIKey is NCZBQEQAHLTMAG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H19FO/c1-13(2)20-18(15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-17(18)19/h3-11,13,17H,12H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene?
(2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene has a molecular weight of 270.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-fluoro-3-phenyl-3-propan-2-yloxy-1,2-dihydroindene is sourced from PubChem (CID 154713759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).