1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol

C15H16F3N3OS — CID 133418920

IUPAC1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol
SMILESOC(CC1CCCN1c1ccc(C(F)(F)F)nn1)c1cccs1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-5-6-14(20-19-13)21-7-1-3-10(21)9-11(22)12-4-2-8-23-12/h2,4-6,8,10-11,22H,1,3,7,9H2
InChIKeyMIBBVFVTZWVXQM-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.65
Rot. Bonds4

About 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol

1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol (PubChem CID 133418920) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol
PubChem CID133418920
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol
SMILESOC(CC1CCCN1c1ccc(C(F)(F)F)nn1)c1cccs1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-5-6-14(20-19-13)21-7-1-3-10(21)9-11(22)12-4-2-8-23-12/h2,4-6,8,10-11,22H,1,3,7,9H2
InChIKeyMIBBVFVTZWVXQM-UHFFFAOYSA-N
XLogP3.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol (CID 133418920) is 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol is OC(CC1CCCN1c1ccc(C(F)(F)F)nn1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol?
The InChIKey is MIBBVFVTZWVXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)13-5-6-14(20-19-13)21-7-1-3-10(21)9-11(22)12-4-2-8-23-12/h2,4-6,8,10-11,22H,1,3,7,9H2.
What are the key properties of 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol?
1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol has a molecular weight of 343.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 133418920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).