N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide

C10H10F3NO — CID 134894148

IUPACN-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide
SMILESC#CN(CC/C=C/C=C)C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-3-5-6-7-8-14(4-2)9(15)10(11,12)13/h2-3,5-6H,1,7-8H2/b6-5+
InChIKeyPCUWBGCGAHNKNB-AATRIKPKSA-N
MW217.19 g/mol
LogP2.10
Rot. Bonds4

About N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide

N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide (PubChem CID 134894148) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide.

Molecular Properties

Compound NameN-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide
PubChem CID134894148
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide
SMILESC#CN(CC/C=C/C=C)C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-3-5-6-7-8-14(4-2)9(15)10(11,12)13/h2-3,5-6H,1,7-8H2/b6-5+
InChIKeyPCUWBGCGAHNKNB-AATRIKPKSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-octa-5,7-dienamide
CID 15011834
N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 15814421
(6E)-nona-6,8-dien-1-yn-3-ol
CID 15469634
(E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide
CID 10932951
(3Z)-6-fluorohexa-1,3-diene
CID 147850000
imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium
CID 6333930
octa-1,5,7-trien-1-amine
CID 76706648
N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 174845848
(3Z,5E)-6-(trifluoromethyl)octa-3,5-dien-7-yn-1-amine
CID 143883504
methyl hepta-4,6-dienoate
CID 53405107
(2E,7E)-deca-2,7,9-trienoyl chloride
CID 11137814
N-hexa-3,5-dienylacetamide
CID 59663062

Frequently Asked Questions

What is the IUPAC name of N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide?
The IUPAC name of N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide (CID 134894148) is N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide.
What is the SMILES notation for N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide?
The canonical SMILES for N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide is C#CN(CC/C=C/C=C)C(=O)C(F)(F)F.
What is the InChIKey of N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide?
The InChIKey is PCUWBGCGAHNKNB-AATRIKPKSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-3-5-6-7-8-14(4-2)9(15)10(11,12)13/h2-3,5-6H,1,7-8H2/b6-5+.
What are the key properties of N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide?
N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide has a molecular weight of 217.19 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]acetamide is sourced from PubChem (CID 134894148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).