2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide

C8H10F3NO — CID 20667237

IUPAC2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide
SMILESC#CCN(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H10F3NO/c1-4-5-12(6(2)3)7(13)8(9,10)11/h1,6H,5H2,2-3H3
InChIKeyIXPIRAPLFHOCGG-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.42
Rot. Bonds2

About 2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide

2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide (PubChem CID 20667237) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide
PubChem CID20667237
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide
SMILESC#CCN(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H10F3NO/c1-4-5-12(6(2)3)7(13)8(9,10)11/h1,6H,5H2,2-3H3
InChIKeyIXPIRAPLFHOCGG-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide
CID 14025461
Trimethyl-[4-[methyl-(2,2,2-trifluoroacetyl)amino]pent-2-ynyl]azanium
CID 14025469
N-t-butyl(dimethyl)-N-methyl-trifluoroacetamide
CID 87957890
Propynamide, N,N-diisopropyl-
CID 565874
2,2,2-Trifluoro-N,N-bis(1-methylethyl)acetamide
CID 587652
N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide
CID 11098349
N,N-diethyl-4,4,4-trifluorobut-2-ynamide
CID 85687523
Trifluoroacetamide, N-isopropyl-N-propyl-
CID 539385
3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide
CID 23236969
2,2-difluoro-N,N-di(propan-2-yl)acetamide
CID 14928300
N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770756
N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 60770830

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide (CID 20667237) is 2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide is C#CCN(C(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide?
The InChIKey is IXPIRAPLFHOCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-4-5-12(6(2)3)7(13)8(9,10)11/h1,6H,5H2,2-3H3.
What are the key properties of 2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide?
2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide has a molecular weight of 193.17 g/mol, XLogP of 1.42, 2 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-propan-2-yl-N-prop-2-ynylacetamide is sourced from PubChem (CID 20667237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).