N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide

C10H9F4NO2 — CID 57314645

IUPACN-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide
SMILESCC(=O)NC(F)(Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F4NO2/c1-7(16)15-10(14,9(11,12)13)17-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)
InChIKeyVUEFFKNOOIKSLI-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.39
Rot. Bonds3

About N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide

N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide (PubChem CID 57314645) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide.

Molecular Properties

Compound NameN-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide
PubChem CID57314645
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC NameN-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide
SMILESCC(=O)NC(F)(Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F4NO2/c1-7(16)15-10(14,9(11,12)13)17-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)
InChIKeyVUEFFKNOOIKSLI-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide?
The IUPAC name of N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide (CID 57314645) is N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide.
What is the SMILES notation for N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide?
The canonical SMILES for N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide is CC(=O)NC(F)(Oc1ccccc1)C(F)(F)F.
What is the InChIKey of N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide?
The InChIKey is VUEFFKNOOIKSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-7(16)15-10(14,9(11,12)13)17-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16).
What are the key properties of N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide?
N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide has a molecular weight of 251.18 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,2-tetrafluoro-1-phenoxyethyl)acetamide is sourced from PubChem (CID 57314645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).