N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide

C16H18F3NO2 — CID 11023403

IUPACN-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](c1ccccc1)N(C[C@@H]1CCC=CO1)C(=O)C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c1-12(13-7-3-2-4-8-13)20(15(21)16(17,18)19)11-14-9-5-6-10-22-14/h2-4,6-8,10,12,14H,5,9,11H2,1H3/t12-,14+/m1/s1
InChIKeyDKNYUGDUOVNVDB-OCCSQVGLSA-N
MW313.32 g/mol
LogP3.83
Rot. Bonds4

About N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide

N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 11023403) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
PubChem CID11023403
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](c1ccccc1)N(C[C@@H]1CCC=CO1)C(=O)C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c1-12(13-7-3-2-4-8-13)20(15(21)16(17,18)19)11-14-9-5-6-10-22-14/h2-4,6-8,10,12,14H,5,9,11H2,1H3/t12-,14+/m1/s1
InChIKeyDKNYUGDUOVNVDB-OCCSQVGLSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide (CID 11023403) is N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide is C[C@H](c1ccccc1)N(C[C@@H]1CCC=CO1)C(=O)C(F)(F)F.
What is the InChIKey of N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is DKNYUGDUOVNVDB-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-12(13-7-3-2-4-8-13)20(15(21)16(17,18)19)11-14-9-5-6-10-22-14/h2-4,6-8,10,12,14H,5,9,11H2,1H3/t12-,14+/m1/s1.
What are the key properties of N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 313.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 11023403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).