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

C14H11FO3S — CID 24723489

IUPAC[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1ccc(C2OCCO2)s1
InChIInChI=1S/C14H11FO3S/c15-10-3-1-2-9(8-10)13(16)11-4-5-12(19-11)14-17-6-7-18-14/h1-5,8,14H,6-7H2
InChIKeyBFNOYKZVHQFHMC-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.16
Rot. Bonds3

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

[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone (PubChem CID 24723489) has the molecular formula C14H11FO3S and a molecular weight of 278.30 g/mol. Its IUPAC name is [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone
PubChem CID24723489
Molecular FormulaC14H11FO3S
Molecular Weight278.30 g/mol
Exact Mass278.04
IUPAC Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1ccc(C2OCCO2)s1
InChIInChI=1S/C14H11FO3S/c15-10-3-1-2-9(8-10)13(16)11-4-5-12(19-11)14-17-6-7-18-14/h1-5,8,14H,6-7H2
InChIKeyBFNOYKZVHQFHMC-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.16
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]-(3-fluorophenyl)methanone?
The IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone (CID 24723489) is [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1ccc(C2OCCO2)s1.
What is the InChIKey of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone?
The InChIKey is BFNOYKZVHQFHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3S/c15-10-3-1-2-9(8-10)13(16)11-4-5-12(19-11)14-17-6-7-18-14/h1-5,8,14H,6-7H2.
What are the key properties of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone?
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-fluorophenyl)methanone has a molecular weight of 278.30 g/mol, XLogP of 3.16, 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]-(3-fluorophenyl)methanone is sourced from PubChem (CID 24723489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).