(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol

C16H16F3NO — CID 10946349

IUPAC(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
SMILESOC[C@H](N[C@H](c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)15(13-9-5-2-6-10-13)20-14(11-21)12-7-3-1-4-8-12/h1-10,14-15,20-21H,11H2/t14-,15+/m0/s1
InChIKeyJLIRBUBWOCOSNE-LSDHHAIUSA-N
MW295.30 g/mol
LogP3.61
Rot. Bonds5

About (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol

(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol (PubChem CID 10946349) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
PubChem CID10946349
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
SMILESOC[C@H](N[C@H](c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)15(13-9-5-2-6-10-13)20-14(11-21)12-7-3-1-4-8-12/h1-10,14-15,20-21H,11H2/t14-,15+/m0/s1
InChIKeyJLIRBUBWOCOSNE-LSDHHAIUSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
CID 101415979
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2-(hydroxyamino)-2-phenylethanol
CID 12782000
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]butane-1,4-diol
CID 15449405
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 122592350
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol (CID 10946349) is (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol is OC[C@H](N[C@H](c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol?
The InChIKey is JLIRBUBWOCOSNE-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)15(13-9-5-2-6-10-13)20-14(11-21)12-7-3-1-4-8-12/h1-10,14-15,20-21H,11H2/t14-,15+/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol?
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol has a molecular weight of 295.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol is sourced from PubChem (CID 10946349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).