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

C17H17FO — CID 14941875

IUPAC(2R,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-/m1/s1
InChIKeyXVIYJLVHGAZVQL-IAGOWNOFSA-N
MW256.32 g/mol
LogP3.86
Rot. Bonds3

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

(2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene (PubChem CID 14941875) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is (2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene.

Molecular Properties

Compound Name(2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene
PubChem CID14941875
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name(2R,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-/m1/s1
InChIKeyXVIYJLVHGAZVQL-IAGOWNOFSA-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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Related Compounds

2,2-Diphenyltetrahydrofuran
CID 70175
Methoxyindane
CID 70506
Indene oxide
CID 92838
(3aR,6aS)-5-hexyl-6-phenyl-6a-phenylmethoxy-2,3,3a,4-tetrahydro-1H-pentalene
CID 52937033
9-Hydroperoxy-9-methylfluorene
CID 29246
Tert-butyl diphenylmethyl ether
CID 255804
Ethanamine, 2-(9H-fluoren-9-yloxy)-N,N-dimethyl-
CID 871359
(1R,2S)-2-Fluoro-1-methoxy-1-phenyl-indan
CID 10977615
9-Fluorenyl acetate
CID 141166
9-Methoxy-9H-fluorene
CID 155999
(1S,2R)-Indene oxide
CID 1512567
(1R,2S)-epoxyindane
CID 1512568

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene?
The IUPAC name of (2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene (CID 14941875) is (2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene.
What is the SMILES notation for (2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene?
The canonical SMILES for (2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene is CCO[C@]1(c2ccccc2)c2ccccc2C[C@H]1F.
What is the InChIKey of (2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene?
The InChIKey is XVIYJLVHGAZVQL-IAGOWNOFSA-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-/m1/s1.
What are the key properties of (2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene?
(2R,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 (2R,3R)-3-ethoxy-2-fluoro-3-phenyl-1,2-dihydroindene is sourced from PubChem (CID 14941875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).