1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol

C10H11F3O2S — CID 123889805

IUPAC1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1ccc(S)cc1
InChIInChI=1S/C10H11F3O2S/c11-10(12,13)6-15-5-9(14)7-1-3-8(16)4-2-7/h1-4,9,14,16H,5-6H2
InChIKeyOYPMUVWKUYVEOG-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 123889805) has the molecular formula C10H11F3O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID123889805
Molecular FormulaC10H11F3O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1ccc(S)cc1
InChIInChI=1S/C10H11F3O2S/c11-10(12,13)6-15-5-9(14)7-1-3-8(16)4-2-7/h1-4,9,14,16H,5-6H2
InChIKeyOYPMUVWKUYVEOG-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216659
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210363
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol
CID 159241183
1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210128
2,2,2-trifluoro-1-(4-sulfanylphenyl)ethanol
CID 90402537
CID 86669082
CID 86669082
1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 55096279
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene
CID 103210534
2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol
CID 103210091
1-(4-tert-butylphenyl)-2-(2,2-difluoroethoxy)ethanol
CID 82006561

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 123889805) is 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol is OC(COCC(F)(F)F)c1ccc(S)cc1.
What is the InChIKey of 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is OYPMUVWKUYVEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2S/c11-10(12,13)6-15-5-9(14)7-1-3-8(16)4-2-7/h1-4,9,14,16H,5-6H2.
What are the key properties of 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 252.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 123889805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).