2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide

C18H24F3NO — CID 134940927

IUPAC2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide
SMILESC=C[C@@H](CCc1ccccc1)N(CCC(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C18H24F3NO/c1-4-16(11-10-15-8-6-5-7-9-15)22(13-12-14(2)3)17(23)18(19,20)21/h4-9,14,16H,1,10-13H2,2-3H3/t16-/m0/s1
InChIKeyYTIQCUQZZOUCLD-INIZCTEOSA-N
MW327.39 g/mol
LogP4.61
Rot. Bonds8

About 2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide

2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide (PubChem CID 134940927) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide
PubChem CID134940927
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide
SMILESC=C[C@@H](CCc1ccccc1)N(CCC(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C18H24F3NO/c1-4-16(11-10-15-8-6-5-7-9-15)22(13-12-14(2)3)17(23)18(19,20)21/h4-9,14,16H,1,10-13H2,2-3H3/t16-/m0/s1
InChIKeyYTIQCUQZZOUCLD-INIZCTEOSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 670110
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
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CID 10357373
N-Cyclohexyl-N-methylcinnamamide
CID 732130

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide (CID 134940927) is 2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide is C=C[C@@H](CCc1ccccc1)N(CCC(C)C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide?
The InChIKey is YTIQCUQZZOUCLD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-4-16(11-10-15-8-6-5-7-9-15)22(13-12-14(2)3)17(23)18(19,20)21/h4-9,14,16H,1,10-13H2,2-3H3/t16-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide?
2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 4.61, 8 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-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide is sourced from PubChem (CID 134940927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).