(1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol

C12H13F3O2 — CID 67815266

IUPAC(1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol
SMILESCO[C@H](c1cccc2c1CC[C@@H]2O)C(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-17-11(12(13,14)15)9-4-2-3-8-7(9)5-6-10(8)16/h2-4,10-11,16H,5-6H2,1H3/t10-,11+/m0/s1
InChIKeyIAODTNQJWKSDCR-WDEREUQCSA-N
MW246.23 g/mol
LogP2.92
Rot. Bonds2

About (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol

(1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 67815266) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID67815266
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol
SMILESCO[C@H](c1cccc2c1CC[C@@H]2O)C(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-17-11(12(13,14)15)9-4-2-3-8-7(9)5-6-10(8)16/h2-4,10-11,16H,5-6H2,1H3/t10-,11+/m0/s1
InChIKeyIAODTNQJWKSDCR-WDEREUQCSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol (CID 67815266) is (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol is CO[C@H](c1cccc2c1CC[C@@H]2O)C(F)(F)F.
What is the InChIKey of (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is IAODTNQJWKSDCR-WDEREUQCSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-17-11(12(13,14)15)9-4-2-3-8-7(9)5-6-10(8)16/h2-4,10-11,16H,5-6H2,1H3/t10-,11+/m0/s1.
What are the key properties of (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol?
(1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 246.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67815266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).