1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol

C10H11F3OS — CID 13463092

IUPAC1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3OS/c1-9(14,10(11,12)13)7-3-5-8(15-2)6-4-7/h3-6,14H,1-2H3
InChIKeyPIENTSBPSRAGTE-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.18
Rot. Bonds2

About 1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol

1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol (PubChem CID 13463092) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol
PubChem CID13463092
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3OS/c1-9(14,10(11,12)13)7-3-5-8(15-2)6-4-7/h3-6,14H,1-2H3
InChIKeyPIENTSBPSRAGTE-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.18
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-2-(4-methylsulfanylphenyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol (CID 13463092) is 1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol is CSc1ccc(C(C)(O)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol?
The InChIKey is PIENTSBPSRAGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c1-9(14,10(11,12)13)7-3-5-8(15-2)6-4-7/h3-6,14H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol?
1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol has a molecular weight of 236.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 13463092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).