1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol

C12H17FO3S — CID 64717959

IUPAC1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CS(=O)c1ccccc1F
InChIInChI=1S/C12H17FO3S/c1-9(2)16-7-10(14)8-17(15)12-6-4-3-5-11(12)13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeySCXMYHHBWNWGHH-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.72
Rot. Bonds6

About 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol

1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol (PubChem CID 64717959) has the molecular formula C12H17FO3S and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol
PubChem CID64717959
Molecular FormulaC12H17FO3S
Molecular Weight260.33 g/mol
Exact Mass260.09
IUPAC Name1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CS(=O)c1ccccc1F
InChIInChI=1S/C12H17FO3S/c1-9(2)16-7-10(14)8-17(15)12-6-4-3-5-11(12)13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeySCXMYHHBWNWGHH-UHFFFAOYSA-N
XLogP1.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 115476910
1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 64717098
1-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64658337
1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanamine
CID 64657955
3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile
CID 103372465
1-[3-(2-hydroxy-3-propan-2-yloxypropyl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]-3-propan-2-yloxypropan-2-ol
CID 166219413
1-fluoro-2-propylsulfinylbenzene
CID 64717305
1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007720
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
CID 53355364
methyl 3-(2-fluorophenyl)sulfinylpropanoate
CID 61303739

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol (CID 64717959) is 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CS(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol?
The InChIKey is SCXMYHHBWNWGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3S/c1-9(2)16-7-10(14)8-17(15)12-6-4-3-5-11(12)13/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol?
1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol has a molecular weight of 260.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 64717959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).