3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one

C13H13F3O3 — CID 2758708

IUPAC3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCC1OCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-9(2-4-10)11(17)5-6-12-18-7-8-19-12/h1-4,12H,5-8H2
InChIKeyFZVUKKKWESOKEF-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.04
Rot. Bonds4

About 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one

3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 2758708) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID2758708
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCC1OCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-9(2-4-10)11(17)5-6-12-18-7-8-19-12/h1-4,12H,5-8H2
InChIKeyFZVUKKKWESOKEF-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one (CID 2758708) is 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one is O=C(CCC1OCCO1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is FZVUKKKWESOKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-9(2-4-10)11(17)5-6-12-18-7-8-19-12/h1-4,12H,5-8H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 274.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 2758708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).