2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide

C16H20F3NO — CID 139250994

IUPAC2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide
SMILESC/C=C/[C@@H](CC)N(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C16H20F3NO/c1-3-8-14(4-2)20(15(21)16(17,18)19)12-11-13-9-6-5-7-10-13/h3,5-10,14H,4,11-12H2,1-2H3/b8-3+/t14-/m1/s1
InChIKeySBNKCEYLXYKZCD-SMDADKPZSA-N
MW299.34 g/mol
LogP3.97
Rot. Bonds6

About 2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide

2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide (PubChem CID 139250994) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide
PubChem CID139250994
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide
SMILESC/C=C/[C@@H](CC)N(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C16H20F3NO/c1-3-8-14(4-2)20(15(21)16(17,18)19)12-11-13-9-6-5-7-10-13/h3,5-10,14H,4,11-12H2,1-2H3/b8-3+/t14-/m1/s1
InChIKeySBNKCEYLXYKZCD-SMDADKPZSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide (CID 139250994) is 2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide is C/C=C/[C@@H](CC)N(CCc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is SBNKCEYLXYKZCD-SMDADKPZSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-3-8-14(4-2)20(15(21)16(17,18)19)12-11-13-9-6-5-7-10-13/h3,5-10,14H,4,11-12H2,1-2H3/b8-3+/t14-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide?
2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 299.34 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E,3R)-hex-4-en-3-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 139250994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).