2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide

C7H8F3NO2 — CID 87172478

IUPAC2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide
SMILESCC#COCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-2-4-13-5-3-11-6(12)7(8,9)10/h3,5H2,1H3,(H,11,12)
InChIKeyVSTGVTUWVMTNEX-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.66
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide

2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide (PubChem CID 87172478) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide
PubChem CID87172478
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide
SMILESCC#COCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-2-4-13-5-3-11-6(12)7(8,9)10/h3,5H2,1H3,(H,11,12)
InChIKeyVSTGVTUWVMTNEX-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-(2-methoxyethyl)butanamide
CID 3255117
N-(2-methoxyethyl)trifluoroacetamide
CID 4104851
N-(2-Methoxyethyl)prop-2-ynamide
CID 19020473
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)acetamide
CID 84454250
2,2,2-trifluoro-N-(3-prop-1-ynoxypropyl)acetamide
CID 91179709
2,2,2-trifluoro-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 14511495
2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 14511496
3-(2-Trifluoroacetamidoethoxy)propyne
CID 16742621
2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide
CID 22492773
N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 37981198
N-(1-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 57737704
N-[2-(difluoromethoxy)ethyl]-2-methylpropanamide
CID 57886985

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide (CID 87172478) is 2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide is CC#COCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide?
The InChIKey is VSTGVTUWVMTNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-2-4-13-5-3-11-6(12)7(8,9)10/h3,5H2,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide?
2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide has a molecular weight of 195.14 g/mol, XLogP of 0.66, 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-(2-prop-1-ynoxyethyl)acetamide is sourced from PubChem (CID 87172478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).