(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one

C11H9F3O2 — CID 134955309

IUPAC(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2C[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C11H9F3O2/c12-11(13,14)10(16)8-5-6-3-1-2-4-7(6)9(8)15/h1-4,8,10,16H,5H2/t8-,10+/m1/s1
InChIKeyGEIYBEWZHYCLOA-SCZZXKLOSA-N
MW230.19 g/mol
LogP1.96
Rot. Bonds1

About (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one

(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one (PubChem CID 134955309) has the molecular formula C11H9F3O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one
PubChem CID134955309
Molecular FormulaC11H9F3O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2C[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C11H9F3O2/c12-11(13,14)10(16)8-5-6-3-1-2-4-7(6)9(8)15/h1-4,8,10,16H,5H2/t8-,10+/m1/s1
InChIKeyGEIYBEWZHYCLOA-SCZZXKLOSA-N
XLogP1.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one?
The IUPAC name of (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one (CID 134955309) is (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one?
The canonical SMILES for (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one is O=C1c2ccccc2C[C@H]1[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one?
The InChIKey is GEIYBEWZHYCLOA-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H9F3O2/c12-11(13,14)10(16)8-5-6-3-1-2-4-7(6)9(8)15/h1-4,8,10,16H,5H2/t8-,10+/m1/s1.
What are the key properties of (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one?
(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one has a molecular weight of 230.19 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 134955309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).