N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide

C7H10F3NO3 — CID 81341090

IUPACN-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
SMILESO=C(NOCC(F)(F)F)C1CCCO1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)4-14-11-6(12)5-2-1-3-13-5/h5H,1-4H2,(H,11,12)
InChIKeyZWMJGCLHEIYGBW-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.78
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide

N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide (PubChem CID 81341090) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
PubChem CID81341090
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC NameN-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
SMILESO=C(NOCC(F)(F)F)C1CCCO1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)4-14-11-6(12)5-2-1-3-13-5/h5H,1-4H2,(H,11,12)
InChIKeyZWMJGCLHEIYGBW-UHFFFAOYSA-N
XLogP0.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid
CID 104855713
(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070
(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide
CID 103901237
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
2,2,2-trifluoroethyl N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamate
CID 94033220
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide
CID 81339919
N-cyclopentyloxyoxane-2-carboxamide
CID 83202578

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide (CID 81341090) is N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide is O=C(NOCC(F)(F)F)C1CCCO1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide?
The InChIKey is ZWMJGCLHEIYGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)4-14-11-6(12)5-2-1-3-13-5/h5H,1-4H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide?
N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide has a molecular weight of 213.15 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide is sourced from PubChem (CID 81341090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).