(1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol

C9H9F3OS — CID 101489480

IUPAC(1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc([C@@H](O)C(F)(F)F)cc1
InChIInChI=1S/C9H9F3OS/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3/t8-/m1/s1
InChIKeyQDILVMHUDQRYHF-MRVPVSSYSA-N
MW222.23 g/mol
LogP3.00
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol

(1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol (PubChem CID 101489480) has the molecular formula C9H9F3OS and a molecular weight of 222.23 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol
PubChem CID101489480
Molecular FormulaC9H9F3OS
Molecular Weight222.23 g/mol
Exact Mass222.03
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc([C@@H](O)C(F)(F)F)cc1
InChIInChI=1S/C9H9F3OS/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3/t8-/m1/s1
InChIKeyQDILVMHUDQRYHF-MRVPVSSYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol (CID 101489480) is (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol is CSc1ccc([C@@H](O)C(F)(F)F)cc1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol?
The InChIKey is QDILVMHUDQRYHF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F3OS/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3/t8-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol?
(1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol has a molecular weight of 222.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 101489480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).