2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide

C17H22F3NO2 — CID 15737561

IUPAC2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
SMILESC=CC[C@@H](CC)O[C@H](c1ccccc1)[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C17H22F3NO2/c1-4-9-14(5-2)23-15(13-10-7-6-8-11-13)12(3)21-16(22)17(18,19)20/h4,6-8,10-12,14-15H,1,5,9H2,2-3H3,(H,21,22)/t12-,14-,15+/m1/s1
InChIKeyPQJKWIONBRIRKK-YUELXQCFSA-N
MW329.36 g/mol
LogP4.17
Rot. Bonds8

About 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide

2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide (PubChem CID 15737561) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
PubChem CID15737561
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
SMILESC=CC[C@@H](CC)O[C@H](c1ccccc1)[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C17H22F3NO2/c1-4-9-14(5-2)23-15(13-10-7-6-8-11-13)12(3)21-16(22)17(18,19)20/h4,6-8,10-12,14-15H,1,5,9H2,2-3H3,(H,21,22)/t12-,14-,15+/m1/s1
InChIKeyPQJKWIONBRIRKK-YUELXQCFSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide (CID 15737561) is 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide is C=CC[C@@H](CC)O[C@H](c1ccccc1)[C@@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide?
The InChIKey is PQJKWIONBRIRKK-YUELXQCFSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-4-9-14(5-2)23-15(13-10-7-6-8-11-13)12(3)21-16(22)17(18,19)20/h4,6-8,10-12,14-15H,1,5,9H2,2-3H3,(H,21,22)/t12-,14-,15+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 15737561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).