2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol

C12H16FNOS — CID 107133387

IUPAC2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol
SMILESOCC(Nc1ccccc1F)C1CCSC1
InChIInChI=1S/C12H16FNOS/c13-10-3-1-2-4-11(10)14-12(7-15)9-5-6-16-8-9/h1-4,9,12,14-15H,5-8H2
InChIKeyKVZJBBTYKAJOQF-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol

2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol (PubChem CID 107133387) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol
PubChem CID107133387
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol
SMILESOCC(Nc1ccccc1F)C1CCSC1
InChIInChI=1S/C12H16FNOS/c13-10-3-1-2-4-11(10)14-12(7-15)9-5-6-16-8-9/h1-4,9,12,14-15H,5-8H2
InChIKeyKVZJBBTYKAJOQF-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoroanilino)-2-(thiolan-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

Related Compounds

2-(2-chloroanilino)-2-(thiolan-3-yl)ethanol
CID 107133371
1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377112
2-(2-chloroanilino)-2-cyclopropylethanol
CID 61310756
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105149389
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105172123
2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237264
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
2-cyclopropyl-2-(4-fluoroanilino)ethanol
CID 61310926
2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
CID 105484688
N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105095868

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol (CID 107133387) is 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol is OCC(Nc1ccccc1F)C1CCSC1.
What is the InChIKey of 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol?
The InChIKey is KVZJBBTYKAJOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-10-3-1-2-4-11(10)14-12(7-15)9-5-6-16-8-9/h1-4,9,12,14-15H,5-8H2.
What are the key properties of 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol?
2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol has a molecular weight of 241.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol is sourced from PubChem (CID 107133387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).