2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane

C11H13FO2S — CID 167320357

IUPAC2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane
SMILESC/C=C/c1cc(F)c(C2(C)OCCO2)s1
InChIInChI=1S/C11H13FO2S/c1-3-4-8-7-9(12)10(15-8)11(2)13-5-6-14-11/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyJTVKTFOYUZEZQP-ONEGZZNKSA-N
MW228.29 g/mol
LogP3.14
Rot. Bonds2

About 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane

2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane (PubChem CID 167320357) has the molecular formula C11H13FO2S and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane
PubChem CID167320357
Molecular FormulaC11H13FO2S
Molecular Weight228.29 g/mol
Exact Mass228.06
IUPAC Name2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane
SMILESC/C=C/c1cc(F)c(C2(C)OCCO2)s1
InChIInChI=1S/C11H13FO2S/c1-3-4-8-7-9(12)10(15-8)11(2)13-5-6-14-11/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyJTVKTFOYUZEZQP-ONEGZZNKSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane (CID 167320357) is 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane is C/C=C/c1cc(F)c(C2(C)OCCO2)s1.
What is the InChIKey of 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane?
The InChIKey is JTVKTFOYUZEZQP-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13FO2S/c1-3-4-8-7-9(12)10(15-8)11(2)13-5-6-14-11/h3-4,7H,5-6H2,1-2H3/b4-3+.
What are the key properties of 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane?
2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane has a molecular weight of 228.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[(E)-prop-1-enyl]thiophen-2-yl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 167320357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).