2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane

C16H19FO3S — CID 70624710

IUPAC2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane
SMILESCC1(OCc2ccccc2F)C=CC(C2OCCCO2)S1
InChIInChI=1S/C16H19FO3S/c1-16(20-11-12-5-2-3-6-13(12)17)8-7-14(21-16)15-18-9-4-10-19-15/h2-3,5-8,14-15H,4,9-11H2,1H3
InChIKeyRVXMRSUESSFNTC-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.49
Rot. Bonds4

About 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane

2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane (PubChem CID 70624710) has the molecular formula C16H19FO3S and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane
PubChem CID70624710
Molecular FormulaC16H19FO3S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane
SMILESCC1(OCc2ccccc2F)C=CC(C2OCCCO2)S1
InChIInChI=1S/C16H19FO3S/c1-16(20-11-12-5-2-3-6-13(12)17)8-7-14(21-16)15-18-9-4-10-19-15/h2-3,5-8,14-15H,4,9-11H2,1H3
InChIKeyRVXMRSUESSFNTC-UHFFFAOYSA-N
XLogP3.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane?
The IUPAC name of 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane (CID 70624710) is 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane.
What is the SMILES notation for 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane?
The canonical SMILES for 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane is CC1(OCc2ccccc2F)C=CC(C2OCCCO2)S1.
What is the InChIKey of 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane?
The InChIKey is RVXMRSUESSFNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3S/c1-16(20-11-12-5-2-3-6-13(12)17)8-7-14(21-16)15-18-9-4-10-19-15/h2-3,5-8,14-15H,4,9-11H2,1H3.
What are the key properties of 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane?
2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane has a molecular weight of 310.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-fluorophenyl)methoxy]-5-methyl-2H-thiophen-2-yl]-1,3-dioxane is sourced from PubChem (CID 70624710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).