2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide

C13H15F4NO3 — CID 103733044

IUPAC2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C13H15F4NO3/c1-8-3-4-9(10(7-8)21-6-5-20-2)18-12(19)13(16,17)11(14)15/h3-4,7,11H,5-6H2,1-2H3,(H,18,19)
InChIKeyOYXWFMZZIYWODA-UHFFFAOYSA-N
MW309.26 g/mol
LogP2.86
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide (PubChem CID 103733044) has the molecular formula C13H15F4NO3 and a molecular weight of 309.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
PubChem CID103733044
Molecular FormulaC13H15F4NO3
Molecular Weight309.26 g/mol
Exact Mass309.10
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C13H15F4NO3/c1-8-3-4-9(10(7-8)21-6-5-20-2)18-12(19)13(16,17)11(14)15/h3-4,7,11H,5-6H2,1-2H3,(H,18,19)
InChIKeyOYXWFMZZIYWODA-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
CID 113250776
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 55891215
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723
N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103769557
N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032448
2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide (CID 103733044) is 2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide is COCCOc1cc(C)ccc1NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
The InChIKey is OYXWFMZZIYWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO3/c1-8-3-4-9(10(7-8)21-6-5-20-2)18-12(19)13(16,17)11(14)15/h3-4,7,11H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide has a molecular weight of 309.26 g/mol, XLogP of 2.86, 7 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-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide is sourced from PubChem (CID 103733044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).