1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone

C10H9F4NO2 — CID 83119686

IUPAC1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C10H9F4NO2/c1-6(16)8-3-2-7(4-15-8)17-5-10(13,14)9(11)12/h2-4,9H,5H2,1H3
InChIKeyHLMOUQXBUJXZJC-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.56
Rot. Bonds5

About 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone

1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone (PubChem CID 83119686) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
PubChem CID83119686
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Name1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C10H9F4NO2/c1-6(16)8-3-2-7(4-15-8)17-5-10(13,14)9(11)12/h2-4,9H,5H2,1H3
InChIKeyHLMOUQXBUJXZJC-UHFFFAOYSA-N
XLogP2.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
CID 121268116
(Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine
CID 129093045
1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
CID 112587862
4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride
CID 12644770
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
CID 142409466
N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine
CID 112584809
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone;ethane
CID 142409465
1-(5-but-3-ynoxy-2-pyridinyl)ethanone
CID 106795026
1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone
CID 106202175
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone (CID 83119686) is 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(OCC(F)(F)C(F)F)cn1.
What is the InChIKey of 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone?
The InChIKey is HLMOUQXBUJXZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-6(16)8-3-2-7(4-15-8)17-5-10(13,14)9(11)12/h2-4,9H,5H2,1H3.
What are the key properties of 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone?
1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone has a molecular weight of 251.18 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).