N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide

C13H15F4NO3 — CID 103732240

IUPACN-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCOc1ccc(OCC)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H15F4NO3/c1-3-20-8-5-6-10(21-4-2)9(7-8)18-12(19)13(16,17)11(14)15/h5-7,11H,3-4H2,1-2H3,(H,18,19)
InChIKeyJRKJOUJYSYQOGS-UHFFFAOYSA-N
MW309.26 g/mol
LogP3.32
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide

N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732240) has the molecular formula C13H15F4NO3 and a molecular weight of 309.26 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103732240
Molecular FormulaC13H15F4NO3
Molecular Weight309.26 g/mol
Exact Mass309.10
IUPAC NameN-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCOc1ccc(OCC)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H15F4NO3/c1-3-20-8-5-6-10(21-4-2)9(7-8)18-12(19)13(16,17)11(14)15/h5-7,11H,3-4H2,1-2H3,(H,18,19)
InChIKeyJRKJOUJYSYQOGS-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 53.32
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

N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731975
N-(2,5-diethoxyphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62831543
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
CID 113250776
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide (CID 103732240) is N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide is CCOc1ccc(OCC)c(NC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is JRKJOUJYSYQOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO3/c1-3-20-8-5-6-10(21-4-2)9(7-8)18-12(19)13(16,17)11(14)15/h5-7,11H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 309.26 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).