2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone

C11H9F3O — CID 45081112

IUPAC2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone
SMILESC=C(C)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H9F3O/c1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14/h3-6H,1H2,2H3
InChIKeyLLWVAFGWRQZQMS-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.46
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone

2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone (PubChem CID 45081112) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone
PubChem CID45081112
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone
SMILESC=C(C)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H9F3O/c1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14/h3-6H,1H2,2H3
InChIKeyLLWVAFGWRQZQMS-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone (CID 45081112) is 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone is C=C(C)c1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone?
The InChIKey is LLWVAFGWRQZQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14/h3-6H,1H2,2H3.
What are the key properties of 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone?
2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone has a molecular weight of 214.19 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone is sourced from PubChem (CID 45081112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).