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

C14H10F2O3S — CID 24723521

IUPAC(2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C2OCCO2)s1)c1cccc(F)c1F
InChIInChI=1S/C14H10F2O3S/c15-9-3-1-2-8(12(9)16)13(17)10-4-5-11(20-10)14-18-6-7-19-14/h1-5,14H,6-7H2
InChIKeySTJYDFNWJKQGGI-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.30
Rot. Bonds3

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

(2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (PubChem CID 24723521) has the molecular formula C14H10F2O3S and a molecular weight of 296.29 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
PubChem CID24723521
Molecular FormulaC14H10F2O3S
Molecular Weight296.29 g/mol
Exact Mass296.03
IUPAC Name(2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C2OCCO2)s1)c1cccc(F)c1F
InChIInChI=1S/C14H10F2O3S/c15-9-3-1-2-8(12(9)16)13(17)10-4-5-11(20-10)14-18-6-7-19-14/h1-5,14H,6-7H2
InChIKeySTJYDFNWJKQGGI-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The IUPAC name of (2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (CID 24723521) is (2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.
What is the SMILES notation for (2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The canonical SMILES for (2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is O=C(c1ccc(C2OCCO2)s1)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The InChIKey is STJYDFNWJKQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3S/c15-9-3-1-2-8(12(9)16)13(17)10-4-5-11(20-10)14-18-6-7-19-14/h1-5,14H,6-7H2.
What are the key properties of (2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
(2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone has a molecular weight of 296.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 24723521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).