5-(trifluoromethyl)oxolane-2-carboxamide

C6H8F3NO2 — CID 166160858

IUPAC5-(trifluoromethyl)oxolane-2-carboxamide
SMILESNC(=O)C1CCC(C(F)(F)F)O1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-2-1-3(12-4)5(10)11/h3-4H,1-2H2,(H2,10,11)
InChIKeyBRDLZLXJRKTZIS-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.58
Rot. Bonds1

About 5-(trifluoromethyl)oxolane-2-carboxamide

5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160858) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160858
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name5-(trifluoromethyl)oxolane-2-carboxamide
SMILESNC(=O)C1CCC(C(F)(F)F)O1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-2-1-3(12-4)5(10)11/h3-4H,1-2H2,(H2,10,11)
InChIKeyBRDLZLXJRKTZIS-UHFFFAOYSA-N
XLogP0.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of 5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160858) is 5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)oxolane-2-carboxamide is NC(=O)C1CCC(C(F)(F)F)O1.
What is the InChIKey of 5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is BRDLZLXJRKTZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)4-2-1-3(12-4)5(10)11/h3-4H,1-2H2,(H2,10,11).
What are the key properties of 5-(trifluoromethyl)oxolane-2-carboxamide?
5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 183.13 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).