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

C9H13F4NO3 — CID 104708935

IUPAC2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
SMILESCOC1(CNC(=O)C(F)(F)C(F)F)CCOC1
InChIInChI=1S/C9H13F4NO3/c1-16-8(2-3-17-5-8)4-14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyDTBKUUBFRSSEFM-UHFFFAOYSA-N
MW259.20 g/mol
LogP0.81
Rot. Bonds5

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

2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide (PubChem CID 104708935) has the molecular formula C9H13F4NO3 and a molecular weight of 259.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
PubChem CID104708935
Molecular FormulaC9H13F4NO3
Molecular Weight259.20 g/mol
Exact Mass259.08
IUPAC Name2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
SMILESCOC1(CNC(=O)C(F)(F)C(F)F)CCOC1
InChIInChI=1S/C9H13F4NO3/c1-16-8(2-3-17-5-8)4-14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyDTBKUUBFRSSEFM-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 103516030
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848696
2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848818
2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849023
4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103849084
2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104704812
N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 104709176
2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104709202
2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760682
2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760737
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
CID 106102867
2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 107302179

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide (CID 104708935) is 2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide is COC1(CNC(=O)C(F)(F)C(F)F)CCOC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The InChIKey is DTBKUUBFRSSEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO3/c1-16-8(2-3-17-5-8)4-14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide has a molecular weight of 259.20 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 104708935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).