2-(trifluoromethyl)oxane-4-carboxamide

C7H10F3NO2 — CID 177065513

IUPAC2-(trifluoromethyl)oxane-4-carboxamide
SMILESNC(=O)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3-4(6(11)12)1-2-13-5/h4-5H,1-3H2,(H2,11,12)
InChIKeyAIYVKYQTAXOKNT-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.83
Rot. Bonds1

About 2-(trifluoromethyl)oxane-4-carboxamide

2-(trifluoromethyl)oxane-4-carboxamide (PubChem CID 177065513) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-(trifluoromethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)oxane-4-carboxamide
PubChem CID177065513
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2-(trifluoromethyl)oxane-4-carboxamide
SMILESNC(=O)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3-4(6(11)12)1-2-13-5/h4-5H,1-3H2,(H2,11,12)
InChIKeyAIYVKYQTAXOKNT-UHFFFAOYSA-N
XLogP0.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)oxane-4-carboxamide?
The IUPAC name of 2-(trifluoromethyl)oxane-4-carboxamide (CID 177065513) is 2-(trifluoromethyl)oxane-4-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)oxane-4-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)oxane-4-carboxamide is NC(=O)C1CCOC(C(F)(F)F)C1.
What is the InChIKey of 2-(trifluoromethyl)oxane-4-carboxamide?
The InChIKey is AIYVKYQTAXOKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-3-4(6(11)12)1-2-13-5/h4-5H,1-3H2,(H2,11,12).
What are the key properties of 2-(trifluoromethyl)oxane-4-carboxamide?
2-(trifluoromethyl)oxane-4-carboxamide has a molecular weight of 197.16 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)oxane-4-carboxamide is sourced from PubChem (CID 177065513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).