2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide

C6H8F3NO — CID 19426657

IUPAC2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-3-4-10(2)5(11)6(7,8)9/h3H,1,4H2,2H3
InChIKeyMUGKBQBGCOPQKP-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.19
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide

2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide (PubChem CID 19426657) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide
PubChem CID19426657
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-3-4-10(2)5(11)6(7,8)9/h3H,1,4H2,2H3
InChIKeyMUGKBQBGCOPQKP-UHFFFAOYSA-N
XLogP1.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide (CID 19426657) is 2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide is C=CCN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide?
The InChIKey is MUGKBQBGCOPQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-3-4-10(2)5(11)6(7,8)9/h3H,1,4H2,2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide?
2,2,2-trifluoro-N-methyl-N-prop-2-enylacetamide has a molecular weight of 167.13 g/mol, XLogP of 1.19, 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-methyl-N-prop-2-enylacetamide is sourced from PubChem (CID 19426657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).