2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol

C12H15FO3S — CID 115048234

IUPAC2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol
SMILESCC(F)(c1ccccc1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H15FO3S/c1-12(13,9-6-7-17(15,16)8-9)10-4-2-3-5-11(10)14/h2-5,9,14H,6-8H2,1H3
InChIKeyVMWZZEQUGHCWHV-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.01
Rot. Bonds2

About 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol

2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol (PubChem CID 115048234) has the molecular formula C12H15FO3S and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol.

Molecular Properties

Compound Name2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol
PubChem CID115048234
Molecular FormulaC12H15FO3S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol
SMILESCC(F)(c1ccccc1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H15FO3S/c1-12(13,9-6-7-17(15,16)8-9)10-4-2-3-5-11(10)14/h2-5,9,14H,6-8H2,1H3
InChIKeyVMWZZEQUGHCWHV-UHFFFAOYSA-N
XLogP2.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol 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

4-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol
CID 115048228
2-[1-fluoro-1-(1-methylpiperidin-4-yl)ethyl]phenol
CID 115042158
2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol
CID 115034518
3-[1-(1,1-dioxothiolan-3-yl)-1-hydroxyethyl]phenol
CID 115047818
N-(1,1-dioxothiolan-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 102566375
2-(1-cyclopropyl-1-hydroxyethyl)phenol
CID 115015171
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 62315285
2-[(1,1-dioxothiolan-3-yl)iminomethyl]phenol
CID 5150731
2-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]phenol
CID 2407869
2-(1,1-dioxothiolan-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 62724880
N-[2-(1,1-dioxothiolan-3-yl)-2-phenylbutyl]cyclopropanamine
CID 62725078
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(trifluoromethyl)anilino]acetamide
CID 109003538

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol?
The IUPAC name of 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol (CID 115048234) is 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol.
What is the SMILES notation for 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol?
The canonical SMILES for 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol is CC(F)(c1ccccc1O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol?
The InChIKey is VMWZZEQUGHCWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3S/c1-12(13,9-6-7-17(15,16)8-9)10-4-2-3-5-11(10)14/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol?
2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol has a molecular weight of 258.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol is sourced from PubChem (CID 115048234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).