1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol

C17H20FNOS — CID 110022755

IUPAC1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1
InChIInChI=1S/C17H20FNOS/c1-12(20)14-8-9-19(10-14)11-16-6-7-17(21-16)13-2-4-15(18)5-3-13/h2-7,12,14,20H,8-11H2,1H3
InChIKeyJOFOQFXRMOULRN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.76
Rot. Bonds4

About 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110022755) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID110022755
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1
InChIInChI=1S/C17H20FNOS/c1-12(20)14-8-9-19(10-14)11-16-6-7-17(21-16)13-2-4-15(18)5-3-13/h2-7,12,14,20H,8-11H2,1H3
InChIKeyJOFOQFXRMOULRN-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol (CID 110022755) is 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1.
What is the InChIKey of 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is JOFOQFXRMOULRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-12(20)14-8-9-19(10-14)11-16-6-7-17(21-16)13-2-4-15(18)5-3-13/h2-7,12,14,20H,8-11H2,1H3.
What are the key properties of 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 305.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110022755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).