2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

C10H19F3N2O2 — CID 142518883

IUPAC2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCCC(OC)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-5-9(17-4)15(7-10(11,12)13)6-8(16)14(2)3/h9H,5-7H2,1-4H3
InChIKeyWTQPORAZQVWPNV-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.32
Rot. Bonds6

About 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (PubChem CID 142518883) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
PubChem CID142518883
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCCC(OC)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-5-9(17-4)15(7-10(11,12)13)6-8(16)14(2)3/h9H,5-7H2,1-4H3
InChIKeyWTQPORAZQVWPNV-UHFFFAOYSA-N
XLogP1.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (CID 142518883) is 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is CCC(OC)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The InChIKey is WTQPORAZQVWPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-5-9(17-4)15(7-10(11,12)13)6-8(16)14(2)3/h9H,5-7H2,1-4H3.
What are the key properties of 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide has a molecular weight of 256.27 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxypropyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 142518883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).