oxolane-3-carboxamide;2,2,2-trifluoroacetic acid

C7H10F3NO4 — CID 172778209

IUPACoxolane-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCOC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9NO2.C2HF3O2/c6-5(7)4-1-2-8-3-4;3-2(4,5)1(6)7/h4H,1-3H2,(H2,6,7);(H,6,7)
InChIKeyNWXFPVQCMMBARN-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.14
Rot. Bonds1

About oxolane-3-carboxamide;2,2,2-trifluoroacetic acid

oxolane-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 172778209) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is oxolane-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameoxolane-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID172778209
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Nameoxolane-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCOC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9NO2.C2HF3O2/c6-5(7)4-1-2-8-3-4;3-2(4,5)1(6)7/h4H,1-3H2,(H2,6,7);(H,6,7)
InChIKeyNWXFPVQCMMBARN-UHFFFAOYSA-N
XLogP0.14
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-oxolane-3-carboxamide
CID 67048684
(3R)-oxolane-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 159784262
oxane-3-carboxamide
CID 22714381
oxane-4-carboxamide
CID 13197203
oxan-3-amine;2,2,2-trifluoroacetic acid
CID 78048070
2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide
CID 169193843
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105099768
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892

Frequently Asked Questions

What is the IUPAC name of oxolane-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of oxolane-3-carboxamide;2,2,2-trifluoroacetic acid (CID 172778209) is oxolane-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for oxolane-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for oxolane-3-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)C1CCOC1.O=C(O)C(F)(F)F.
What is the InChIKey of oxolane-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NWXFPVQCMMBARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2HF3O2/c6-5(7)4-1-2-8-3-4;3-2(4,5)1(6)7/h4H,1-3H2,(H2,6,7);(H,6,7).
What are the key properties of oxolane-3-carboxamide;2,2,2-trifluoroacetic acid?
oxolane-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 229.15 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172778209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).