(2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol

C16H22F3NO3 — CID 24950982

IUPAC(2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol
SMILESCC1(C[C@@H](N[C@@H](CO)c2ccccc2)C(F)(F)F)OCCCO1
InChIInChI=1S/C16H22F3NO3/c1-15(22-8-5-9-23-15)10-14(16(17,18)19)20-13(11-21)12-6-3-2-4-7-12/h2-4,6-7,13-14,20-21H,5,8-11H2,1H3/t13-,14+/m0/s1
InChIKeyXHQRZIJFZMNPRX-UONOGXRCSA-N
MW333.35 g/mol
LogP2.78
Rot. Bonds6

About (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol

(2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol (PubChem CID 24950982) has the molecular formula C16H22F3NO3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol
PubChem CID24950982
Molecular FormulaC16H22F3NO3
Molecular Weight333.35 g/mol
Exact Mass333.16
IUPAC Name(2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol
SMILESCC1(C[C@@H](N[C@@H](CO)c2ccccc2)C(F)(F)F)OCCCO1
InChIInChI=1S/C16H22F3NO3/c1-15(22-8-5-9-23-15)10-14(16(17,18)19)20-13(11-21)12-6-3-2-4-7-12/h2-4,6-7,13-14,20-21H,5,8-11H2,1H3/t13-,14+/m0/s1
InChIKeyXHQRZIJFZMNPRX-UONOGXRCSA-N
XLogP2.78
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol with MolForge

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Related Compounds

(7R,9S)-9-phenyl-7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 12170411
ethyl (2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)pent-4-enoate
CID 15953650
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol
CID 122585267
(1R,2S)-1-fluoro-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 71213732
ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate
CID 11220456
(2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylpropan-1-ol
CID 16083866
(4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one
CID 24950981
(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol
CID 134835817
(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol
CID 134848052
(2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol
CID 134861765
(2R)-2-[(R)-(benzylamino)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3,3-trifluoropropan-1-ol
CID 134931243
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methyl-2-(trifluoromethyl)pentan-1-ol
CID 134946057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol (CID 24950982) is (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol is CC1(C[C@@H](N[C@@H](CO)c2ccccc2)C(F)(F)F)OCCCO1.
What is the InChIKey of (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol?
The InChIKey is XHQRZIJFZMNPRX-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22F3NO3/c1-15(22-8-5-9-23-15)10-14(16(17,18)19)20-13(11-21)12-6-3-2-4-7-12/h2-4,6-7,13-14,20-21H,5,8-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol?
(2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol has a molecular weight of 333.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol is sourced from PubChem (CID 24950982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).