[(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate

C16H24F3NO2Si — CID 10831525

IUPAC[(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate
SMILESCCCN[C@H](c1ccccc1)[C@H](OC(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C16H24F3NO2Si/c1-5-11-20-13(12-9-7-6-8-10-12)14(23(2,3)4)22-15(21)16(17,18)19/h6-10,13-14,20H,5,11H2,1-4H3/t13-,14-/m1/s1
InChIKeyOFVWNWAIBFQRFD-ZIAGYGMSSA-N
MW347.45 g/mol
LogP4.08
Rot. Bonds7

About [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate

[(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate (PubChem CID 10831525) has the molecular formula C16H24F3NO2Si and a molecular weight of 347.45 g/mol. Its IUPAC name is [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate
PubChem CID10831525
Molecular FormulaC16H24F3NO2Si
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC Name[(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate
SMILESCCCN[C@H](c1ccccc1)[C@H](OC(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C16H24F3NO2Si/c1-5-11-20-13(12-9-7-6-8-10-12)14(23(2,3)4)22-15(21)16(17,18)19/h6-10,13-14,20H,5,11H2,1-4H3/t13-,14-/m1/s1
InChIKeyOFVWNWAIBFQRFD-ZIAGYGMSSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 71454801
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CID 15953650
(3S,5R)-5-Phenyl-3-(prop-2-en-1-yl)-3-(trifluoromethyl)morpholin-2-one
CID 15953651
(3S,5R)-5-Phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one
CID 71422312
(R)-5-phenylmorpholin-2-one
CID 11126817
1,1,1-trifluoro-N-[(1S)-2-methoxy-1-phenylethyl]pent-4-en-2-amine
CID 58625327
ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate
CID 11220456
ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate
CID 24813514
[2-(Benzylamino)-3,3,3-trifluoropropyl] acetate
CID 56601693
ethyl (3S)-3-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-2,2-difluoro-5-methylhexanoate
CID 56965354
ethyl (3S)-3-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-2,2-difluoro-4-methylpentanoate
CID 101560519
(3S,5S)-3-phenyl-5-(trifluoromethyl)-1,4-oxazepan-7-one
CID 102287566

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate (CID 10831525) is [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate is CCCN[C@H](c1ccccc1)[C@H](OC(=O)C(F)(F)F)[Si](C)(C)C.
What is the InChIKey of [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate?
The InChIKey is OFVWNWAIBFQRFD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24F3NO2Si/c1-5-11-20-13(12-9-7-6-8-10-12)14(23(2,3)4)22-15(21)16(17,18)19/h6-10,13-14,20H,5,11H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate?
[(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate has a molecular weight of 347.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-phenyl-2-(propylamino)-1-trimethylsilylethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 10831525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).