2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide

C11H12F4N2O2 — CID 106289109

IUPAC2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESNc1ccccc1OCC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-17-9(18)5-19-8-4-2-1-3-7(8)16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyAKFPFGKYSBYRHL-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.66
Rot. Bonds6

About 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide

2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide (PubChem CID 106289109) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide
PubChem CID106289109
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESNc1ccccc1OCC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-17-9(18)5-19-8-4-2-1-3-7(8)16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyAKFPFGKYSBYRHL-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide
CID 55108500
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
2-(2-aminophenoxy)-N-pent-4-ynylacetamide
CID 106219762
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492340

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide (CID 106289109) is 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide is Nc1ccccc1OCC(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The InChIKey is AKFPFGKYSBYRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-17-9(18)5-19-8-4-2-1-3-7(8)16/h1-4,10H,5-6,16H2,(H,17,18).
What are the key properties of 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide?
2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide has a molecular weight of 280.22 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide is sourced from PubChem (CID 106289109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).