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

C10H9F3O — CID 102459172

IUPAC(1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2ccccc2C[C@@H]1C(F)(F)F
InChIInChI=1S/C10H9F3O/c11-10(12,13)8-5-6-3-1-2-4-7(6)9(8)14/h1-4,8-9,14H,5H2/t8-,9-/m0/s1
InChIKeyZYJBLTIPBVPHHS-IUCAKERBSA-N
MW202.17 g/mol
LogP2.45
Rot. Bonds

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

(1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 102459172) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is (1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID102459172
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name(1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2ccccc2C[C@@H]1C(F)(F)F
InChIInChI=1S/C10H9F3O/c11-10(12,13)8-5-6-3-1-2-4-7(6)9(8)14/h1-4,8-9,14H,5H2/t8-,9-/m0/s1
InChIKeyZYJBLTIPBVPHHS-IUCAKERBSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (CID 102459172) is (1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is O[C@H]1c2ccccc2C[C@@H]1C(F)(F)F.
What is the InChIKey of (1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZYJBLTIPBVPHHS-IUCAKERBSA-N. The full InChI is InChI=1S/C10H9F3O/c11-10(12,13)8-5-6-3-1-2-4-7(6)9(8)14/h1-4,8-9,14H,5H2/t8-,9-/m0/s1.
What are the key properties of (1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
(1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 202.17 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 102459172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).