1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C13H14F4O2 — CID 43800999

IUPAC1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCCc1ccc(C(=O)COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C13H14F4O2/c1-2-9-3-5-10(6-4-9)11(18)7-19-8-13(16,17)12(14)15/h3-6,12H,2,7-8H2,1H3
InChIKeyJDJLNYZTHAAAHR-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.35
Rot. Bonds7

About 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 43800999) has the molecular formula C13H14F4O2 and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID43800999
Molecular FormulaC13H14F4O2
Molecular Weight278.25 g/mol
Exact Mass278.09
IUPAC Name1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCCc1ccc(C(=O)COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C13H14F4O2/c1-2-9-3-5-10(6-4-9)11(18)7-19-8-13(16,17)12(14)15/h3-6,12H,2,7-8H2,1H3
InChIKeyJDJLNYZTHAAAHR-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 43800999) is 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is CCc1ccc(C(=O)COCC(F)(F)C(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is JDJLNYZTHAAAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O2/c1-2-9-3-5-10(6-4-9)11(18)7-19-8-13(16,17)12(14)15/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 278.25 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 43800999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).