1H-inden-2-ol;trifluoromethanethiol

C10H9F3OS — CID 164582111

IUPAC1H-inden-2-ol;trifluoromethanethiol
SMILESFC(F)(F)S.OC1=Cc2ccccc2C1
InChIInChI=1S/C9H8O.CHF3S/c10-9-5-7-3-1-2-4-8(7)6-9;2-1(3,4)5/h1-5,10H,6H2;5H
InChIKeyWELGUDYDRWBFOW-UHFFFAOYSA-N
MW234.24 g/mol
LogP3.58
Rot. Bonds

About 1H-inden-2-ol;trifluoromethanethiol

1H-inden-2-ol;trifluoromethanethiol (PubChem CID 164582111) has the molecular formula C10H9F3OS and a molecular weight of 234.24 g/mol. Its IUPAC name is 1H-inden-2-ol;trifluoromethanethiol.

Molecular Properties

Compound Name1H-inden-2-ol;trifluoromethanethiol
PubChem CID164582111
Molecular FormulaC10H9F3OS
Molecular Weight234.24 g/mol
Exact Mass234.03
IUPAC Name1H-inden-2-ol;trifluoromethanethiol
SMILESFC(F)(F)S.OC1=Cc2ccccc2C1
InChIInChI=1S/C9H8O.CHF3S/c10-9-5-7-3-1-2-4-8(7)6-9;2-1(3,4)5/h1-5,10H,6H2;5H
InChIKeyWELGUDYDRWBFOW-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-inden-2-ol;trifluoromethanethiol?
The IUPAC name of 1H-inden-2-ol;trifluoromethanethiol (CID 164582111) is 1H-inden-2-ol;trifluoromethanethiol.
What is the SMILES notation for 1H-inden-2-ol;trifluoromethanethiol?
The canonical SMILES for 1H-inden-2-ol;trifluoromethanethiol is FC(F)(F)S.OC1=Cc2ccccc2C1.
What is the InChIKey of 1H-inden-2-ol;trifluoromethanethiol?
The InChIKey is WELGUDYDRWBFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.CHF3S/c10-9-5-7-3-1-2-4-8(7)6-9;2-1(3,4)5/h1-5,10H,6H2;5H.
What are the key properties of 1H-inden-2-ol;trifluoromethanethiol?
1H-inden-2-ol;trifluoromethanethiol has a molecular weight of 234.24 g/mol, XLogP of 3.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-2-ol;trifluoromethanethiol is sourced from PubChem (CID 164582111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).