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

C12H13F3O2 — CID 67814069

IUPAC(1S)-4-[(1S)-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-QWRGUYRKSA-N
MW246.23 g/mol
LogP2.92
Rot. Bonds2

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

(1S)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 67814069) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (1S)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID67814069
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(1S)-4-[(1S)-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-QWRGUYRKSA-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-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

(+/-)-trans-(3-(3,5-Bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)methanol
CID 44415444
7-methyl-2,3-dihydro-1H-inden-1-ol
CID 23082867
(1R)-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 11607933
(1S)-4-Methylindan-1-ol
CID 11615192
(r)-4-Methyl-indan-1-ol
CID 11629630
(1S)-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 11643947
6-Methyl-2,3-dihydro-1H-inden-1-ol
CID 12337217
2,3-Dihydro-1-methoxy-1H-inden-2-ol
CID 143339
1H-Inden-1-ol, 2-fluoro-2,3-dihydro-, (1R,2S)-
CID 12167272
(7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol
CID 10704751
2-Ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493094
2-(Methoxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493019

Frequently Asked Questions

What is the IUPAC name of (1S)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol (CID 67814069) is (1S)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-[(1S)-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-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is IAODTNQJWKSDCR-QWRGUYRKSA-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-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol?
(1S)-4-[(1S)-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-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67814069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).