2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran

C19H15FOS — CID 102442319

IUPAC2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran
SMILESC#Cc1ccc(F)cc1C(c1ccc(C)o1)c1ccc(C)s1
InChIInChI=1S/C19H15FOS/c1-4-14-7-8-15(20)11-16(14)19(17-9-5-12(2)21-17)18-10-6-13(3)22-18/h1,5-11,19H,2-3H3
InChIKeyZUVGGIRPVBBRNP-UHFFFAOYSA-N
MW310.39 g/mol
LogP5.26
Rot. Bonds3

About 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran

2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran (PubChem CID 102442319) has the molecular formula C19H15FOS and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran.

Molecular Properties

Compound Name2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran
PubChem CID102442319
Molecular FormulaC19H15FOS
Molecular Weight310.39 g/mol
Exact Mass310.08
IUPAC Name2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran
SMILESC#Cc1ccc(F)cc1C(c1ccc(C)o1)c1ccc(C)s1
InChIInChI=1S/C19H15FOS/c1-4-14-7-8-15(20)11-16(14)19(17-9-5-12(2)21-17)18-10-6-13(3)22-18/h1,5-11,19H,2-3H3
InChIKeyZUVGGIRPVBBRNP-UHFFFAOYSA-N
XLogP5.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.39
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran?
The IUPAC name of 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran (CID 102442319) is 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran.
What is the SMILES notation for 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran?
The canonical SMILES for 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran is C#Cc1ccc(F)cc1C(c1ccc(C)o1)c1ccc(C)s1.
What is the InChIKey of 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran?
The InChIKey is ZUVGGIRPVBBRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FOS/c1-4-14-7-8-15(20)11-16(14)19(17-9-5-12(2)21-17)18-10-6-13(3)22-18/h1,5-11,19H,2-3H3.
What are the key properties of 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran?
2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran has a molecular weight of 310.39 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran is sourced from PubChem (CID 102442319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).