(1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol

C10H9F3O2 — CID 67058341

IUPAC(1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C10H9F3O2/c11-10(12,13)15-9-3-1-2-6-7(9)4-5-8(6)14/h1-3,8,14H,4-5H2/t8-/m0/s1
InChIKeyVSIKRNKEFUIRSW-QMMMGPOBSA-N
MW218.17 g/mol
LogP2.56
Rot. Bonds1

About (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol

(1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 67058341) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID67058341
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name(1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C10H9F3O2/c11-10(12,13)15-9-3-1-2-6-7(9)4-5-8(6)14/h1-3,8,14H,4-5H2/t8-/m0/s1
InChIKeyVSIKRNKEFUIRSW-QMMMGPOBSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol (CID 67058341) is (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2c(OC(F)(F)F)cccc21.
What is the InChIKey of (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VSIKRNKEFUIRSW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)15-9-3-1-2-6-7(9)4-5-8(6)14/h1-3,8,14H,4-5H2/t8-/m0/s1.
What are the key properties of (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
(1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 218.17 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67058341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).