2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C8H11F4NO3 — CID 103848818

IUPAC2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(NCC1(O)CCOC1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO3/c9-5(10)8(11,12)6(14)13-3-7(15)1-2-16-4-7/h5,15H,1-4H2,(H,13,14)
InChIKeyGJLJKDLGVMOYKO-UHFFFAOYSA-N
MW245.17 g/mol
LogP0.15
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 103848818) has the molecular formula C8H11F4NO3 and a molecular weight of 245.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID103848818
Molecular FormulaC8H11F4NO3
Molecular Weight245.17 g/mol
Exact Mass245.07
IUPAC Name2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(NCC1(O)CCOC1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO3/c9-5(10)8(11,12)6(14)13-3-7(15)1-2-16-4-7/h5,15H,1-4H2,(H,13,14)
InChIKeyGJLJKDLGVMOYKO-UHFFFAOYSA-N
XLogP0.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 103848818) is 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is O=C(NCC1(O)CCOC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is GJLJKDLGVMOYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO3/c9-5(10)8(11,12)6(14)13-3-7(15)1-2-16-4-7/h5,15H,1-4H2,(H,13,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 245.17 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 103848818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).