N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O — CID 79277924

IUPACN-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCNCC(=O)N(CCCC)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-3-5-7-16(9-11(12,13)14)10(17)8-15-6-4-2/h4,15H,2-3,5-9H2,1H3
InChIKeyGEDMFOSQTREIJY-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.95
Rot. Bonds8

About N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79277924) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79277924
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCNCC(=O)N(CCCC)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-3-5-7-16(9-11(12,13)14)10(17)8-15-6-4-2/h4,15H,2-3,5-9H2,1H3
InChIKeyGEDMFOSQTREIJY-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.95
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-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 79277924) is N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide is C=CCNCC(=O)N(CCCC)CC(F)(F)F.
What is the InChIKey of N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GEDMFOSQTREIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-3-5-7-16(9-11(12,13)14)10(17)8-15-6-4-2/h4,15H,2-3,5-9H2,1H3.
What are the key properties of N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79277924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).