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

C16H15FO — CID 10977615

IUPAC(2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene
SMILESCO[C@]1(c2ccccc2)c2ccccc2C[C@@H]1F
InChIInChI=1S/C16H15FO/c1-18-16(13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-15(16)17/h2-10,15H,11H2,1H3/t15-,16+/m0/s1
InChIKeyCOOIVDSZJWYRKB-JKSUJKDBSA-N
MW242.29 g/mol
LogP3.47
Rot. Bonds2

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

(2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene (PubChem CID 10977615) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is (2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene.

Molecular Properties

Compound Name(2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene
PubChem CID10977615
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name(2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene
SMILESCO[C@]1(c2ccccc2)c2ccccc2C[C@@H]1F
InChIInChI=1S/C16H15FO/c1-18-16(13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-15(16)17/h2-10,15H,11H2,1H3/t15-,16+/m0/s1
InChIKeyCOOIVDSZJWYRKB-JKSUJKDBSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.47
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-methoxy-3-phenyl-1,2-dihydroindene?
The IUPAC name of (2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene (CID 10977615) is (2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene.
What is the SMILES notation for (2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene?
The canonical SMILES for (2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene is CO[C@]1(c2ccccc2)c2ccccc2C[C@@H]1F.
What is the InChIKey of (2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene?
The InChIKey is COOIVDSZJWYRKB-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H15FO/c1-18-16(13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-15(16)17/h2-10,15H,11H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene?
(2S,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene has a molecular weight of 242.29 g/mol, XLogP of 3.47, 2 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-methoxy-3-phenyl-1,2-dihydroindene is sourced from PubChem (CID 10977615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).