2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine

C13H19F4NO2S — CID 177207182

IUPAC2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine
SMILESCC(F)CO.CSC.FC(F)(F)c1ccc2c(n1)OCC2
InChIInChI=1S/C8H6F3NO.C3H7FO.C2H6S/c9-8(10,11)6-2-1-5-3-4-13-7(5)12-6;1-3(4)2-5;1-3-2/h1-2H,3-4H2;3,5H,2H2,1H3;1-2H3
InChIKeyTXWZMEXIIXTZOZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.35
Rot. Bonds1

About 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine

2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine (PubChem CID 177207182) has the molecular formula C13H19F4NO2S and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine
PubChem CID177207182
Molecular FormulaC13H19F4NO2S
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine
SMILESCC(F)CO.CSC.FC(F)(F)c1ccc2c(n1)OCC2
InChIInChI=1S/C8H6F3NO.C3H7FO.C2H6S/c9-8(10,11)6-2-1-5-3-4-13-7(5)12-6;1-3(4)2-5;1-3-2/h1-2H,3-4H2;3,5H,2H2,1H3;1-2H3
InChIKeyTXWZMEXIIXTZOZ-UHFFFAOYSA-N
XLogP3.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine?
The IUPAC name of 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine (CID 177207182) is 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine.
What is the SMILES notation for 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine?
The canonical SMILES for 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine is CC(F)CO.CSC.FC(F)(F)c1ccc2c(n1)OCC2.
What is the InChIKey of 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine?
The InChIKey is TXWZMEXIIXTZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO.C3H7FO.C2H6S/c9-8(10,11)6-2-1-5-3-4-13-7(5)12-6;1-3(4)2-5;1-3-2/h1-2H,3-4H2;3,5H,2H2,1H3;1-2H3.
What are the key properties of 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine?
2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine has a molecular weight of 329.36 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropan-1-ol;methylsulfanylmethane;6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridine is sourced from PubChem (CID 177207182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).