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

C11H18F3NO2 — CID 78883813

IUPACN-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCO1
InChIInChI=1S/C11H18F3NO2/c1-2-3-6-15(8-11(12,13)14)10(16)9-5-4-7-17-9/h9H,2-8H2,1H3
InChIKeyNPHWJEJOBLBESL-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.36
Rot. Bonds5

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

N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide (PubChem CID 78883813) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
PubChem CID78883813
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCO1
InChIInChI=1S/C11H18F3NO2/c1-2-3-6-15(8-11(12,13)14)10(16)9-5-4-7-17-9/h9H,2-8H2,1H3
InChIKeyNPHWJEJOBLBESL-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide (CID 78883813) is N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCCO1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The InChIKey is NPHWJEJOBLBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-3-6-15(8-11(12,13)14)10(16)9-5-4-7-17-9/h9H,2-8H2,1H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide is sourced from PubChem (CID 78883813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).