2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide

C16H20F3NO2 — CID 15737560

IUPAC2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide
SMILESC=CC[C@@H](C)O[C@H](c1ccccc1)[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-4-8-11(2)22-14(13-9-6-5-7-10-13)12(3)20-15(21)16(17,18)19/h4-7,9-12,14H,1,8H2,2-3H3,(H,20,21)/t11-,12-,14+/m1/s1
InChIKeyQBXVACXPOPMNSD-BZPMIXESSA-N
MW315.34 g/mol
LogP3.78
Rot. Bonds7

About 2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide

2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide (PubChem CID 15737560) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide
PubChem CID15737560
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide
SMILESC=CC[C@@H](C)O[C@H](c1ccccc1)[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-4-8-11(2)22-14(13-9-6-5-7-10-13)12(3)20-15(21)16(17,18)19/h4-7,9-12,14H,1,8H2,2-3H3,(H,20,21)/t11-,12-,14+/m1/s1
InChIKeyQBXVACXPOPMNSD-BZPMIXESSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.78
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-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide (CID 15737560) is 2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide is C=CC[C@@H](C)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-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide?
The InChIKey is QBXVACXPOPMNSD-BZPMIXESSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-4-8-11(2)22-14(13-9-6-5-7-10-13)12(3)20-15(21)16(17,18)19/h4-7,9-12,14H,1,8H2,2-3H3,(H,20,21)/t11-,12-,14+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide has a molecular weight of 315.34 g/mol, XLogP of 3.78, 7 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-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 15737560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).