5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole

C15H10FNS — CID 142472299

IUPAC5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole
SMILESC#Cc1ccc2[nH]cc(-c3ccsc3CF)c2c1
InChIInChI=1S/C15H10FNS/c1-2-10-3-4-14-12(7-10)13(9-17-14)11-5-6-18-15(11)8-16/h1,3-7,9,17H,8H2
InChIKeyMKGSWIBSPVXXFX-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.35
Rot. Bonds2

About 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole

5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole (PubChem CID 142472299) has the molecular formula C15H10FNS and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole.

Molecular Properties

Compound Name5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole
PubChem CID142472299
Molecular FormulaC15H10FNS
Molecular Weight255.32 g/mol
Exact Mass255.05
IUPAC Name5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole
SMILESC#Cc1ccc2[nH]cc(-c3ccsc3CF)c2c1
InChIInChI=1S/C15H10FNS/c1-2-10-3-4-14-12(7-10)13(9-17-14)11-5-6-18-15(11)8-16/h1,3-7,9,17H,8H2
InChIKeyMKGSWIBSPVXXFX-UHFFFAOYSA-N
XLogP4.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole?
The IUPAC name of 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole (CID 142472299) is 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole.
What is the SMILES notation for 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole?
The canonical SMILES for 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole is C#Cc1ccc2[nH]cc(-c3ccsc3CF)c2c1.
What is the InChIKey of 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole?
The InChIKey is MKGSWIBSPVXXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNS/c1-2-10-3-4-14-12(7-10)13(9-17-14)11-5-6-18-15(11)8-16/h1,3-7,9,17H,8H2.
What are the key properties of 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole?
5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole has a molecular weight of 255.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole is sourced from PubChem (CID 142472299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).