2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol

C14H11F3OS — CID 54258539

IUPAC2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol
SMILESOC(c1ccccc1Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H11F3OS/c15-14(16,17)13(18)11-8-4-5-9-12(11)19-10-6-2-1-3-7-10/h1-9,13,18H
InChIKeyRBUWSTDLXGSUTL-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.43
Rot. Bonds3

About 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol

2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol (PubChem CID 54258539) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol
PubChem CID54258539
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol
SMILESOC(c1ccccc1Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H11F3OS/c15-14(16,17)13(18)11-8-4-5-9-12(11)19-10-6-2-1-3-7-10/h1-9,13,18H
InChIKeyRBUWSTDLXGSUTL-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol (CID 54258539) is 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol is OC(c1ccccc1Sc1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol?
The InChIKey is RBUWSTDLXGSUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c15-14(16,17)13(18)11-8-4-5-9-12(11)19-10-6-2-1-3-7-10/h1-9,13,18H.
What are the key properties of 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol?
2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol has a molecular weight of 284.30 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-phenylsulfanylphenyl)ethanol is sourced from PubChem (CID 54258539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).