N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide

C16H22F3NO — CID 12032480

IUPACN-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide
SMILESC=CCCCC(C=C)(C=C)N(CCC=C)C(=O)C(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-5-9-11-12-15(7-3,8-4)20(13-10-6-2)14(21)16(17,18)19/h5-8H,1-4,9-13H2
InChIKeyHPDBOJHPYHRARK-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.42
Rot. Bonds10

About N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide

N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 12032480) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide
PubChem CID12032480
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide
SMILESC=CCCCC(C=C)(C=C)N(CCC=C)C(=O)C(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-5-9-11-12-15(7-3,8-4)20(13-10-6-2)14(21)16(17,18)19/h5-8H,1-4,9-13H2
InChIKeyHPDBOJHPYHRARK-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.42
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide (CID 12032480) is N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide is C=CCCCC(C=C)(C=C)N(CCC=C)C(=O)C(F)(F)F.
What is the InChIKey of N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is HPDBOJHPYHRARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-5-9-11-12-15(7-3,8-4)20(13-10-6-2)14(21)16(17,18)19/h5-8H,1-4,9-13H2.
What are the key properties of N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide?
N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 301.35 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 12032480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).