6-(3-fluorophenyl)sulfonylhexan-2-ol

C12H17FO3S — CID 106585275

IUPAC6-(3-fluorophenyl)sulfonylhexan-2-ol
SMILESCC(O)CCCCS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FO3S/c1-10(14)5-2-3-8-17(15,16)12-7-4-6-11(13)9-12/h4,6-7,9-10,14H,2-3,5,8H2,1H3
InChIKeyQMJLBLJGBCHLDH-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.15
Rot. Bonds6

About 6-(3-fluorophenyl)sulfonylhexan-2-ol

6-(3-fluorophenyl)sulfonylhexan-2-ol (PubChem CID 106585275) has the molecular formula C12H17FO3S and a molecular weight of 260.33 g/mol. Its IUPAC name is 6-(3-fluorophenyl)sulfonylhexan-2-ol.

Molecular Properties

Compound Name6-(3-fluorophenyl)sulfonylhexan-2-ol
PubChem CID106585275
Molecular FormulaC12H17FO3S
Molecular Weight260.33 g/mol
Exact Mass260.09
IUPAC Name6-(3-fluorophenyl)sulfonylhexan-2-ol
SMILESCC(O)CCCCS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FO3S/c1-10(14)5-2-3-8-17(15,16)12-7-4-6-11(13)9-12/h4,6-7,9-10,14H,2-3,5,8H2,1H3
InChIKeyQMJLBLJGBCHLDH-UHFFFAOYSA-N
XLogP2.15
TPSA54.37 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-tert-butylphenyl)sulfonylhexan-2-ol
CID 106585373
4-ethyl-6-(3-fluorophenyl)sulfonylhexan-2-one
CID 59068746
3-(3-fluorophenyl)sulfonylpropane-1,2-diol
CID 111969337
1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 115477152
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
1-fluoro-3-(iodomethylsulfonyl)benzene
CID 163495375
1-fluoro-3-pentan-2-ylsulfonylbenzene
CID 107888330
1-(3-fluorophenyl)sulfonyl-3-methoxy-3-methylbutan-2-ol
CID 114228872
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
6-(benzenesulfonyl)hexan-3-ol
CID 106808103
2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 18170875

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)sulfonylhexan-2-ol?
The IUPAC name of 6-(3-fluorophenyl)sulfonylhexan-2-ol (CID 106585275) is 6-(3-fluorophenyl)sulfonylhexan-2-ol.
What is the SMILES notation for 6-(3-fluorophenyl)sulfonylhexan-2-ol?
The canonical SMILES for 6-(3-fluorophenyl)sulfonylhexan-2-ol is CC(O)CCCCS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)sulfonylhexan-2-ol?
The InChIKey is QMJLBLJGBCHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3S/c1-10(14)5-2-3-8-17(15,16)12-7-4-6-11(13)9-12/h4,6-7,9-10,14H,2-3,5,8H2,1H3.
What are the key properties of 6-(3-fluorophenyl)sulfonylhexan-2-ol?
6-(3-fluorophenyl)sulfonylhexan-2-ol has a molecular weight of 260.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)sulfonylhexan-2-ol is sourced from PubChem (CID 106585275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).