N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide

C9H15F3N2O — CID 79278051

IUPACN-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide
SMILESC=CCNCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-3-5-13-7-8(15)14(2)6-4-9(10,11)12/h3,13H,1,4-7H2,2H3
InChIKeyINZMMXMDFOPVGU-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.17
Rot. Bonds6

About N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide

N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 79278051) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID79278051
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide
SMILESC=CCNCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-3-5-13-7-8(15)14(2)6-4-9(10,11)12/h3,13H,1,4-7H2,2H3
InChIKeyINZMMXMDFOPVGU-UHFFFAOYSA-N
XLogP1.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide (CID 79278051) is N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide is C=CCNCC(=O)N(C)CCC(F)(F)F.
What is the InChIKey of N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is INZMMXMDFOPVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-3-5-13-7-8(15)14(2)6-4-9(10,11)12/h3,13H,1,4-7H2,2H3.
What are the key properties of N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide?
N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 79278051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).