[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone

C15H11F3O3S — CID 24723487

IUPAC[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccc(C2OCCO2)s1
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)10-3-1-9(2-4-10)13(19)11-5-6-12(22-11)14-20-7-8-21-14/h1-6,14H,7-8H2
InChIKeyKEEWWWVADGCIAA-UHFFFAOYSA-N
MW328.31 g/mol
LogP4.04
Rot. Bonds3

About [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone

[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 24723487) 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]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID24723487
Molecular FormulaC15H11F3O3S
Molecular Weight328.31 g/mol
Exact Mass328.04
IUPAC Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccc(C2OCCO2)s1
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)10-3-1-9(2-4-10)13(19)11-5-6-12(22-11)14-20-7-8-21-14/h1-6,14H,7-8H2
InChIKeyKEEWWWVADGCIAA-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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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 24723487) is [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1ccc(C2OCCO2)s1.
What is the InChIKey of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is KEEWWWVADGCIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3S/c16-15(17,18)10-3-1-9(2-4-10)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]-[4-(trifluoromethyl)phenyl]methanone?
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-[4-(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]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 24723487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).