(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol

C13H15F3O3S — CID 115795998

IUPAC(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESO=S1(=O)CCCCC1C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3O3S/c14-13(15,16)10-6-2-1-5-9(10)12(17)11-7-3-4-8-20(11,18)19/h1-2,5-6,11-12,17H,3-4,7-8H2
InChIKeyWGRHQYQWQQPSHT-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.71
Rot. Bonds2

About (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol

(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 115795998) has the molecular formula C13H15F3O3S and a molecular weight of 308.32 g/mol. Its IUPAC name is (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID115795998
Molecular FormulaC13H15F3O3S
Molecular Weight308.32 g/mol
Exact Mass308.07
IUPAC Name(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESO=S1(=O)CCCCC1C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3O3S/c14-13(15,16)10-6-2-1-5-9(10)12(17)11-7-3-4-8-20(11,18)19/h1-2,5-6,11-12,17H,3-4,7-8H2
InChIKeyWGRHQYQWQQPSHT-UHFFFAOYSA-N
XLogP2.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol 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

cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
(1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol
CID 104521192
(2,5-diethylphenyl)-(1,1-dioxothian-2-yl)methanol
CID 104521199
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1,1-dioxothian-2-yl)methanol
CID 104521053
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 65139489
2-(2,6-difluorophenyl)-1-(1,1-dioxothian-2-yl)ethanol
CID 104522099
2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116756263
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
1-(1,1-dioxothian-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853689
N-[(1,1-dioxothian-2-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792931
1-[bis[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 3912326

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 115795998) is (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol is O=S1(=O)CCCCC1C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is WGRHQYQWQQPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3S/c14-13(15,16)10-6-2-1-5-9(10)12(17)11-7-3-4-8-20(11,18)19/h1-2,5-6,11-12,17H,3-4,7-8H2.
What are the key properties of (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 308.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-2-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115795998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).