(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol

C13H16F3NO — CID 134835817

IUPAC(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol
SMILESC=CC[C@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-2-6-12(13(14,15)16)17-11(9-18)10-7-4-3-5-8-10/h2-5,7-8,11-12,17-18H,1,6,9H2/t11-,12-/m0/s1
InChIKeyQACJJDPSILPWRX-RYUDHWBXSA-N
MW259.27 g/mol
LogP2.82
Rot. Bonds6

About (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol

(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol (PubChem CID 134835817) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol
PubChem CID134835817
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol
SMILESC=CC[C@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-2-6-12(13(14,15)16)17-11(9-18)10-7-4-3-5-8-10/h2-5,7-8,11-12,17-18H,1,6,9H2/t11-,12-/m0/s1
InChIKeyQACJJDPSILPWRX-RYUDHWBXSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol 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

2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-(Benzylamino)-1-phenylethanol
CID 229746
2-Amino-2-phenylethanol
CID 92466
3-(Benzylamino)-1,1,1-trifluoropropan-2-ol
CID 3787794
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
(R)-beta-aminophenethyl alcohol
CID 2724025
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
CID 49797463
2-((1-Methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethanol
CID 35748
alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
CID 29545

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol (CID 134835817) is (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol is C=CC[C@H](N[C@@H](CO)c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol?
The InChIKey is QACJJDPSILPWRX-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-2-6-12(13(14,15)16)17-11(9-18)10-7-4-3-5-8-10/h2-5,7-8,11-12,17-18H,1,6,9H2/t11-,12-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol?
(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol has a molecular weight of 259.27 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol is sourced from PubChem (CID 134835817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).