(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

C11H12F3NO3S — CID 102707884

IUPAC(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESO=S1(=O)CCC(C(O)c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)9-1-3-15-5-8(9)10(16)7-2-4-19(17,18)6-7/h1,3,5,7,10,16H,2,4,6H2
InChIKeyNXCXTWCEHLMFFE-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.57
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707884) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707884
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESO=S1(=O)CCC(C(O)c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)9-1-3-15-5-8(9)10(16)7-2-4-19(17,18)6-7/h1,3,5,7,10,16H,2,4,6H2
InChIKeyNXCXTWCEHLMFFE-UHFFFAOYSA-N
XLogP1.57
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol with MolForge

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Related Compounds

piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707413
2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707826
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102709143
[(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710467
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 102710226
(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol
CID 115336470
(4-methylmorpholin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707853
(2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 64904990
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
[cycloheptyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710352
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710138

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707884) is (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is O=S1(=O)CCC(C(O)c2cnccc2C(F)(F)F)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is NXCXTWCEHLMFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-11(13,14)9-1-3-15-5-8(9)10(16)7-2-4-19(17,18)6-7/h1,3,5,7,10,16H,2,4,6H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 295.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).