N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide

C9H14F3NO2 — CID 78864296

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCO1
InChIInChI=1S/C9H14F3NO2/c1-2-13(6-9(10,11)12)8(14)7-4-3-5-15-7/h7H,2-6H2,1H3
InChIKeyNLXRHOUIEBHJQE-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds3

About N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide

N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide (PubChem CID 78864296) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
PubChem CID78864296
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCO1
InChIInChI=1S/C9H14F3NO2/c1-2-13(6-9(10,11)12)8(14)7-4-3-5-15-7/h7H,2-6H2,1H3
InChIKeyNLXRHOUIEBHJQE-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide (CID 78864296) is N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCO1.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The InChIKey is NLXRHOUIEBHJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-13(6-9(10,11)12)8(14)7-4-3-5-15-7/h7H,2-6H2,1H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide is sourced from PubChem (CID 78864296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).