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

C13H13F3O4 — CID 103543650

IUPAC1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)CC1OCCO1
InChIInChI=1S/C13H13F3O4/c14-13(15,16)20-11-3-1-9(2-4-11)7-10(17)8-12-18-5-6-19-12/h1-4,12H,5-8H2
InChIKeyJGNUFDNNGYZKMR-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.46
Rot. Bonds5

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

1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one (PubChem CID 103543650) has the molecular formula C13H13F3O4 and a molecular weight of 290.24 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
PubChem CID103543650
Molecular FormulaC13H13F3O4
Molecular Weight290.24 g/mol
Exact Mass290.08
IUPAC Name1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)CC1OCCO1
InChIInChI=1S/C13H13F3O4/c14-13(15,16)20-11-3-1-9(2-4-11)7-10(17)8-12-18-5-6-19-12/h1-4,12H,5-8H2
InChIKeyJGNUFDNNGYZKMR-UHFFFAOYSA-N
XLogP2.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 62622266
1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65330397
4-amino-4-cyclopropyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 116608648
1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 116558957
2-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 16790000
N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide
CID 60556517
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 114968084
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
3-hydroxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 103446073

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one (CID 103543650) is 1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one is O=C(Cc1ccc(OC(F)(F)F)cc1)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one?
The InChIKey is JGNUFDNNGYZKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O4/c14-13(15,16)20-11-3-1-9(2-4-11)7-10(17)8-12-18-5-6-19-12/h1-4,12H,5-8H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one?
1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one has a molecular weight of 290.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one is sourced from PubChem (CID 103543650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).