2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O — CID 78787491

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=C(C)CN(CC)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-4-15(5-8(2)3)6-9(16)14-7-10(11,12)13/h2,4-7H2,1,3H3,(H,14,16)
InChIKeyUPCURTDGQFKCGC-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.56
Rot. Bonds6

About 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78787491) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78787491
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=C(C)CN(CC)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-4-15(5-8(2)3)6-9(16)14-7-10(11,12)13/h2,4-7H2,1,3H3,(H,14,16)
InChIKeyUPCURTDGQFKCGC-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 78787491) is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is C=C(C)CN(CC)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UPCURTDGQFKCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-4-15(5-8(2)3)6-9(16)14-7-10(11,12)13/h2,4-7H2,1,3H3,(H,14,16).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78787491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).