N-(trifluoromethyl)oxane-4-carboxamide

C7H10F3NO2 — CID 152619875

IUPACN-(trifluoromethyl)oxane-4-carboxamide
SMILESO=C(NC(F)(F)F)C1CCOCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)11-6(12)5-1-3-13-4-2-5/h5H,1-4H2,(H,11,12)
InChIKeyZBHHTIPUMVRQAV-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.05
Rot. Bonds1

About N-(trifluoromethyl)oxane-4-carboxamide

N-(trifluoromethyl)oxane-4-carboxamide (PubChem CID 152619875) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-(trifluoromethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)oxane-4-carboxamide
PubChem CID152619875
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-(trifluoromethyl)oxane-4-carboxamide
SMILESO=C(NC(F)(F)F)C1CCOCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)11-6(12)5-1-3-13-4-2-5/h5H,1-4H2,(H,11,12)
InChIKeyZBHHTIPUMVRQAV-UHFFFAOYSA-N
XLogP1.05
TPSA38.33 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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)oxane-4-carboxamide?
The IUPAC name of N-(trifluoromethyl)oxane-4-carboxamide (CID 152619875) is N-(trifluoromethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)oxane-4-carboxamide?
The canonical SMILES for N-(trifluoromethyl)oxane-4-carboxamide is O=C(NC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(trifluoromethyl)oxane-4-carboxamide?
The InChIKey is ZBHHTIPUMVRQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)11-6(12)5-1-3-13-4-2-5/h5H,1-4H2,(H,11,12).
What are the key properties of N-(trifluoromethyl)oxane-4-carboxamide?
N-(trifluoromethyl)oxane-4-carboxamide has a molecular weight of 197.16 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)oxane-4-carboxamide is sourced from PubChem (CID 152619875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).