2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide

C7H8F3NO2 — CID 130927350

IUPAC2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide
SMILESC#CC(COC)NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-3-5(4-13-2)11-6(12)7(8,9)10/h1,5H,4H2,2H3,(H,11,12)
InChIKeyRGKRZMXLBVAKBO-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.31
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide

2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide (PubChem CID 130927350) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide
PubChem CID130927350
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide
SMILESC#CC(COC)NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-3-5(4-13-2)11-6(12)7(8,9)10/h1,5H,4H2,2H3,(H,11,12)
InChIKeyRGKRZMXLBVAKBO-UHFFFAOYSA-N
XLogP0.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-yn-2-yl-2,2,2-trifluoroacetamide
CID 14025442
N-(4-chloro-1-methoxy-3-oxobutan-2-yl)-2,2,2-trifluoroacetamide
CID 104701689
2,2,2-trifluoro-N-hex-5-yn-3-ylacetamide
CID 115647459
methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 131853056
tert-butyl (2R)-2-[(2,2,2-trifluoroacetyl)amino]pent-4-ynoate
CID 132992553
4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
CID 103578918
1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide
CID 136531933
N-(1,4-dihydroxypentan-2-yl)-2,2,2-trifluoroacetamide
CID 123267888
methyl (4S)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 102062040
methyl (2S)-3,3,3-trifluoro-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 56845696
(2S)-1-methoxy-N-(2-methylpropyl)but-3-yn-2-amine
CID 167274032
2-cyano-N-hex-1-yn-3-yl-2-methylpropanamide
CID 103529089

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide (CID 130927350) is 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide is C#CC(COC)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide?
The InChIKey is RGKRZMXLBVAKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-3-5(4-13-2)11-6(12)7(8,9)10/h1,5H,4H2,2H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide?
2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide has a molecular weight of 195.14 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide is sourced from PubChem (CID 130927350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).