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

C7H8F3NO2 — CID 22492773

IUPAC2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide
SMILESCC#COC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-3-4-13-5(2)11-6(12)7(8,9)10/h5H,1-2H3,(H,11,12)
InChIKeyKTHBUCNHICVWIS-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.01
Rot. Bonds2

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

2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide (PubChem CID 22492773) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide
PubChem CID22492773
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide
SMILESCC#COC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-3-4-13-5(2)11-6(12)7(8,9)10/h5H,1-2H3,(H,11,12)
InChIKeyKTHBUCNHICVWIS-UHFFFAOYSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide (CID 22492773) is 2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide is CC#COC(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide?
The InChIKey is KTHBUCNHICVWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-3-4-13-5(2)11-6(12)7(8,9)10/h5H,1-2H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide?
2,2,2-trifluoro-N-(1-prop-1-ynoxyethyl)acetamide has a molecular weight of 195.14 g/mol, XLogP of 1.01, 2 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-prop-1-ynoxyethyl)acetamide is sourced from PubChem (CID 22492773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).