1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol

C11H14F3NO2 — CID 63901679

IUPAC1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
SMILESOC(CNCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)10(17)7-15-6-9(16)8-4-2-1-3-5-8/h1-5,9-10,15-17H,6-7H2
InChIKeyTZUVAQHCRXJYNR-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.23
Rot. Bonds5

About 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol (PubChem CID 63901679) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
PubChem CID63901679
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
SMILESOC(CNCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)10(17)7-15-6-9(16)8-4-2-1-3-5-8/h1-5,9-10,15-17H,6-7H2
InChIKeyTZUVAQHCRXJYNR-UHFFFAOYSA-N
XLogP1.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
CID 60689484
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
5,5,5-trifluoro-1-phenylpentane-1,4-diol
CID 79423436
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669
(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol (CID 63901679) is 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol is OC(CNCC(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol?
The InChIKey is TZUVAQHCRXJYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c12-11(13,14)10(17)7-15-6-9(16)8-4-2-1-3-5-8/h1-5,9-10,15-17H,6-7H2.
What are the key properties of 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol has a molecular weight of 249.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol is sourced from PubChem (CID 63901679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).