[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone

C15H11F3O3S — CID 24723485

IUPAC[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)10-4-2-1-3-9(10)13(19)11-5-6-12(22-11)14-20-7-8-21-14/h1-6,14H,7-8H2
InChIKeyWSLYDGYFBVIXKX-UHFFFAOYSA-N
MW328.31 g/mol
LogP4.04
Rot. Bonds3

About [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone

[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 24723485) has the molecular formula C15H11F3O3S and a molecular weight of 328.31 g/mol. Its IUPAC name is [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID24723485
Molecular FormulaC15H11F3O3S
Molecular Weight328.31 g/mol
Exact Mass328.04
IUPAC Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)10-4-2-1-3-9(10)13(19)11-5-6-12(22-11)14-20-7-8-21-14/h1-6,14H,7-8H2
InChIKeyWSLYDGYFBVIXKX-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1(3H)-Isobenzofuranone, 3-(2-thienyl)-
CID 6425425
Ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
CID 86182726
2-Trifluoroacetyl-5-(1,3-dioxolan-2-yl)thiophene
CID 24723449
5-(1,3-Dioxolan-2-YL)-2-(3-trifluoromethylbenzoyl)thiophene
CID 24723486
5-(1,3-Dioxolan-2-YL)-2-(4-trifluoromethylbenzoyl)thiophene
CID 24723487
5-(1,3-Dioxolan-2-YL)-2-(2-fluorobenzoyl)thiophene
CID 24723488
5-(1,3-Dioxolan-2-YL)-2-(3-fluorobenzoyl)thiophene
CID 24723489
5-(1,3-Dioxolan-2-YL)-2-(4-fluorobenzoyl)thiophene
CID 24723490
2-(2,3-Difluorobenzoyl)-5-(1,3-dioxolan-2-YL)thiophene
CID 24723521
(3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one
CID 122202415
Octafluoroisobutyl thiolbenzoate
CID 129810153
2-(Trifluoromethyl)benzyl 2,2-difluoro-3-(5-methylthiophen-2-yl)-3-oxopropanoate
CID 145722521

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 24723485) is [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C2OCCO2)s1)c1ccccc1C(F)(F)F.
What is the InChIKey of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is WSLYDGYFBVIXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3S/c16-15(17,18)10-4-2-1-3-9(10)13(19)11-5-6-12(22-11)14-20-7-8-21-14/h1-6,14H,7-8H2.
What are the key properties of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone?
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 328.31 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 24723485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).