(1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

C10H9F3O — CID 67811672

IUPAC(1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H9F3O/c11-10(12,13)7-3-1-6-2-4-9(14)8(6)5-7/h1,3,5,9,14H,2,4H2/t9-/m0/s1
InChIKeyJAICRPHZHDNVQL-VIFPVBQESA-N
MW202.17 g/mol
LogP2.68
Rot. Bonds

About (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

(1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 67811672) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID67811672
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name(1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H9F3O/c11-10(12,13)7-3-1-6-2-4-9(14)8(6)5-7/h1,3,5,9,14H,2,4H2/t9-/m0/s1
InChIKeyJAICRPHZHDNVQL-VIFPVBQESA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (CID 67811672) is (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is JAICRPHZHDNVQL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9F3O/c11-10(12,13)7-3-1-6-2-4-9(14)8(6)5-7/h1,3,5,9,14H,2,4H2/t9-/m0/s1.
What are the key properties of (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
(1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 202.17 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67811672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).