(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol

C10H11F3O2 — CID 162372103

IUPAC(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
SMILESO[C@H](COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3O2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2/t9-/m1/s1
InChIKeyIFFZLRAHNTWDDZ-SECBINFHSA-N
MW220.19 g/mol
LogP2.30
Rot. Bonds4

About (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol

(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 162372103) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID162372103
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
SMILESO[C@H](COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3O2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2/t9-/m1/s1
InChIKeyIFFZLRAHNTWDDZ-SECBINFHSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 123889805
CID 86669082
CID 86669082
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210363
2-[(2-fluorophenyl)methoxy]-1-phenylethanol
CID 63937773
benzene;2-methoxy-1-phenylethanol
CID 174622919
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216659
1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104952588
1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
CID 103476126
1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210128
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95334934

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol (CID 162372103) is (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol is O[C@H](COCC(F)(F)F)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is IFFZLRAHNTWDDZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F3O2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2/t9-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol?
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 220.19 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 162372103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).