3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide

C8H12F4N2O2 — CID 106291677

IUPAC3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCC(F)(F)C(F)F)CCOC1
InChIInChI=1S/C8H12F4N2O2/c9-5(10)8(11,12)3-14-6(15)7(13)1-2-16-4-7/h5H,1-4,13H2,(H,14,15)
InChIKeyNJELCEZRKRQWSW-UHFFFAOYSA-N
MW244.19 g/mol
LogP0.12
Rot. Bonds4

About 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide

3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide (PubChem CID 106291677) has the molecular formula C8H12F4N2O2 and a molecular weight of 244.19 g/mol. Its IUPAC name is 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
PubChem CID106291677
Molecular FormulaC8H12F4N2O2
Molecular Weight244.19 g/mol
Exact Mass244.08
IUPAC Name3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCC(F)(F)C(F)F)CCOC1
InChIInChI=1S/C8H12F4N2O2/c9-5(10)8(11,12)3-14-6(15)7(13)1-2-16-4-7/h5H,1-4,13H2,(H,14,15)
InChIKeyNJELCEZRKRQWSW-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2,2-Trifluoroethylamino)oxolane-3-carboxamide
CID 63335623
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890960
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890999
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891155
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891192
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891355
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 64891625
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
CID 64891757
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892150
3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 64892203
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892558
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892771

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide (CID 106291677) is 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide is NC1(C(=O)NCC(F)(F)C(F)F)CCOC1.
What is the InChIKey of 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide?
The InChIKey is NJELCEZRKRQWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O2/c9-5(10)8(11,12)3-14-6(15)7(13)1-2-16-4-7/h5H,1-4,13H2,(H,14,15).
What are the key properties of 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide?
3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide has a molecular weight of 244.19 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide is sourced from PubChem (CID 106291677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).