N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide

C11H18F3NO3 — CID 10635655

IUPACN-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide
SMILESCCC(OCC(F)(F)F)N(C)C(=O)C1CCCO1
InChIInChI=1S/C11H18F3NO3/c1-3-9(18-7-11(12,13)14)15(2)10(16)8-5-4-6-17-8/h8-9H,3-7H2,1-2H3
InChIKeyUQICWTMSJVYVHO-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide

N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide (PubChem CID 10635655) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide
PubChem CID10635655
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide
SMILESCCC(OCC(F)(F)F)N(C)C(=O)C1CCCO1
InChIInChI=1S/C11H18F3NO3/c1-3-9(18-7-11(12,13)14)15(2)10(16)8-5-4-6-17-8/h8-9H,3-7H2,1-2H3
InChIKeyUQICWTMSJVYVHO-UHFFFAOYSA-N
XLogP1.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.94
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 N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide?
The IUPAC name of N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide (CID 10635655) is N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide is CCC(OCC(F)(F)F)N(C)C(=O)C1CCCO1.
What is the InChIKey of N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide?
The InChIKey is UQICWTMSJVYVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-3-9(18-7-11(12,13)14)15(2)10(16)8-5-4-6-17-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide?
N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 10635655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).