N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide

C13H15F4NO3 — CID 103731975

IUPACN-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCOc1ccc(NC(=O)C(F)(F)C(F)F)cc1OCC
InChIInChI=1S/C13H15F4NO3/c1-3-20-9-6-5-8(7-10(9)21-4-2)18-12(19)13(16,17)11(14)15/h5-7,11H,3-4H2,1-2H3,(H,18,19)
InChIKeyBPBSCKRZBPFIIW-UHFFFAOYSA-N
MW309.26 g/mol
LogP3.32
Rot. Bonds7

About N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide

N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103731975) has the molecular formula C13H15F4NO3 and a molecular weight of 309.26 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103731975
Molecular FormulaC13H15F4NO3
Molecular Weight309.26 g/mol
Exact Mass309.10
IUPAC NameN-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCOc1ccc(NC(=O)C(F)(F)C(F)F)cc1OCC
InChIInChI=1S/C13H15F4NO3/c1-3-20-9-6-5-8(7-10(9)21-4-2)18-12(19)13(16,17)11(14)15/h5-7,11H,3-4H2,1-2H3,(H,18,19)
InChIKeyBPBSCKRZBPFIIW-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-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103732240
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119419546
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731916
N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
CID 108506834
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
2-bromo-N-(3,4-diethoxyphenyl)butanamide
CID 62854269
methyl 2-ethoxy-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750375
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide
CID 103732227
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide (CID 103731975) is N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide is CCOc1ccc(NC(=O)C(F)(F)C(F)F)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is BPBSCKRZBPFIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO3/c1-3-20-9-6-5-8(7-10(9)21-4-2)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-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(3,4-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-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103731975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).