2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide

C10H15F4NO2 — CID 103769518

IUPAC2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)C1CCOCC1
InChIInChI=1S/C10H15F4NO2/c1-6(7-2-4-17-5-3-7)15-9(16)10(13,14)8(11)12/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyVJDNKIDQEXJWIH-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.82
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide (PubChem CID 103769518) has the molecular formula C10H15F4NO2 and a molecular weight of 257.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide
PubChem CID103769518
Molecular FormulaC10H15F4NO2
Molecular Weight257.23 g/mol
Exact Mass257.10
IUPAC Name2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)C1CCOCC1
InChIInChI=1S/C10H15F4NO2/c1-6(7-2-4-17-5-3-7)15-9(16)10(13,14)8(11)12/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyVJDNKIDQEXJWIH-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-2-methyl-N-[1-(oxan-4-yl)ethyl]propanamide
CID 103769337
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
3-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]-3-sulfanylidenepropanamide
CID 114115167
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114115162
2-hydroxy-2-methyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 103430535
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
N-[1-(oxan-4-yl)ethyl]morpholine-4-carboxamide
CID 103768181
2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120593233
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 104855040

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide (CID 103769518) is 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide is CC(NC(=O)C(F)(F)C(F)F)C1CCOCC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide?
The InChIKey is VJDNKIDQEXJWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4NO2/c1-6(7-2-4-17-5-3-7)15-9(16)10(13,14)8(11)12/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide has a molecular weight of 257.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide is sourced from PubChem (CID 103769518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).