2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane

C14H13FO2S — CID 23130519

IUPAC2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane
SMILESFc1cccc(Cc2ccc(C3OCCO3)s2)c1
InChIInChI=1S/C14H13FO2S/c15-11-3-1-2-10(8-11)9-12-4-5-13(18-12)14-16-6-7-17-14/h1-5,8,14H,6-7,9H2
InChIKeyAGJQRTAVIHRROB-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.52
Rot. Bonds3

About 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane

2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane (PubChem CID 23130519) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane
PubChem CID23130519
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane
SMILESFc1cccc(Cc2ccc(C3OCCO3)s2)c1
InChIInChI=1S/C14H13FO2S/c15-11-3-1-2-10(8-11)9-12-4-5-13(18-12)14-16-6-7-17-14/h1-5,8,14H,6-7,9H2
InChIKeyAGJQRTAVIHRROB-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane?
The IUPAC name of 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane (CID 23130519) is 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane is Fc1cccc(Cc2ccc(C3OCCO3)s2)c1.
What is the InChIKey of 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane?
The InChIKey is AGJQRTAVIHRROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c15-11-3-1-2-10(8-11)9-12-4-5-13(18-12)14-16-6-7-17-14/h1-5,8,14H,6-7,9H2.
What are the key properties of 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane?
2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane has a molecular weight of 264.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluorophenyl)methyl]thiophen-2-yl]-1,3-dioxolane is sourced from PubChem (CID 23130519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).