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

C7H10F3NO2 — CID 150553400

IUPAC2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide
SMILESCC=COCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-4-13-5-3-11-6(12)7(8,9)10/h2,4H,3,5H2,1H3,(H,11,12)
InChIKeyIIILUBHRERNXTH-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.22
Rot. Bonds4

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

2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide (PubChem CID 150553400) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide
PubChem CID150553400
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide
SMILESCC=COCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-4-13-5-3-11-6(12)7(8,9)10/h2,4H,3,5H2,1H3,(H,11,12)
InChIKeyIIILUBHRERNXTH-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide (CID 150553400) is 2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide is CC=COCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide?
The InChIKey is IIILUBHRERNXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-4-13-5-3-11-6(12)7(8,9)10/h2,4H,3,5H2,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide?
2,2,2-trifluoro-N-(2-prop-1-enoxyethyl)acetamide has a molecular weight of 197.16 g/mol, XLogP of 1.22, 4 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-enoxyethyl)acetamide is sourced from PubChem (CID 150553400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).