1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol

C10H11F3OS — CID 63900018

IUPAC1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(O)C(F)(F)F
InChIInChI=1S/C10H11F3OS/c1-7-4-2-3-5-8(7)15-6-9(14)10(11,12)13/h2-5,9,14H,6H2,1H3
InChIKeyRFUZLFSHNSXCJD-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.01
Rot. Bonds3

About 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol

1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 63900018) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID63900018
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(O)C(F)(F)F
InChIInChI=1S/C10H11F3OS/c1-7-4-2-3-5-8(7)15-6-9(14)10(11,12)13/h2-5,9,14H,6H2,1H3
InChIKeyRFUZLFSHNSXCJD-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol (CID 63900018) is 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol is Cc1ccccc1SCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is RFUZLFSHNSXCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c1-7-4-2-3-5-8(7)15-6-9(14)10(11,12)13/h2-5,9,14H,6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol?
1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 236.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 63900018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).