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

C19H26F3NO — CID 135055373

IUPAC2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide
SMILESC=C[C@@H](CCc1ccccc1)N(CCCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C19H26F3NO/c1-3-5-6-10-15-23(18(24)19(20,21)22)17(4-2)14-13-16-11-8-7-9-12-16/h4,7-9,11-12,17H,2-3,5-6,10,13-15H2,1H3/t17-/m0/s1
InChIKeyODIQNLPAQUMCDQ-KRWDZBQOSA-N
MW341.42 g/mol
LogP5.14
Rot. Bonds10

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

2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide (PubChem CID 135055373) has the molecular formula C19H26F3NO and a molecular weight of 341.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide
PubChem CID135055373
Molecular FormulaC19H26F3NO
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide
SMILESC=C[C@@H](CCc1ccccc1)N(CCCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C19H26F3NO/c1-3-5-6-10-15-23(18(24)19(20,21)22)17(4-2)14-13-16-11-8-7-9-12-16/h4,7-9,11-12,17H,2-3,5-6,10,13-15H2,1H3/t17-/m0/s1
InChIKeyODIQNLPAQUMCDQ-KRWDZBQOSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]ethan-1-one
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N-Cyclohexyl-N-methylcinnamamide
CID 732130

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide (CID 135055373) is 2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide is C=C[C@@H](CCc1ccccc1)N(CCCCCC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide?
The InChIKey is ODIQNLPAQUMCDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26F3NO/c1-3-5-6-10-15-23(18(24)19(20,21)22)17(4-2)14-13-16-11-8-7-9-12-16/h4,7-9,11-12,17H,2-3,5-6,10,13-15H2,1H3/t17-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide?
2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 5.14, 10 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-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide is sourced from PubChem (CID 135055373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).