3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride

C9H10F2O3S — CID 115041325

IUPAC3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CC(O)Cc1ccc(F)cc1
InChIInChI=1S/C9H10F2O3S/c10-8-3-1-7(2-4-8)5-9(12)6-15(11,13)14/h1-4,9,12H,5-6H2
InChIKeyREPCEWJIDQMLBN-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.03
Rot. Bonds4

About 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride

3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride (PubChem CID 115041325) has the molecular formula C9H10F2O3S and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride
PubChem CID115041325
Molecular FormulaC9H10F2O3S
Molecular Weight236.24 g/mol
Exact Mass236.03
IUPAC Name3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CC(O)Cc1ccc(F)cc1
InChIInChI=1S/C9H10F2O3S/c10-8-3-1-7(2-4-8)5-9(12)6-15(11,13)14/h1-4,9,12H,5-6H2
InChIKeyREPCEWJIDQMLBN-UHFFFAOYSA-N
XLogP1.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride
CID 115047007
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
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1-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
1-fluoro-2-(4-fluorophenyl)ethanol
CID 67526233
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide
CID 115039399
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473089
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol
CID 65131091
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol
CID 103547351
[3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate
CID 150618914

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride?
The IUPAC name of 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride (CID 115041325) is 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride?
The canonical SMILES for 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride is O=S(=O)(F)CC(O)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride?
The InChIKey is REPCEWJIDQMLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3S/c10-8-3-1-7(2-4-8)5-9(12)6-15(11,13)14/h1-4,9,12H,5-6H2.
What are the key properties of 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride?
3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride has a molecular weight of 236.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride is sourced from PubChem (CID 115041325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).