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

C10H9F3O — CID 67058205

IUPAC(1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H9F3O/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3,9,14H,4-5H2/t9-/m0/s1
InChIKeyWYRONQVMJMJUKG-VIFPVBQESA-N
MW202.17 g/mol
LogP2.68
Rot. Bonds

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

(1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 67058205) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is (1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID67058205
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name(1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H9F3O/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3,9,14H,4-5H2/t9-/m0/s1
InChIKeyWYRONQVMJMJUKG-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)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (CID 67058205) is (1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2c1cccc2C(F)(F)F.
What is the InChIKey of (1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is WYRONQVMJMJUKG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9F3O/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3,9,14H,4-5H2/t9-/m0/s1.
What are the key properties of (1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
(1S)-4-(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)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67058205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).