1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol

C17H16F4O3S — CID 122232699

IUPAC1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(F)(F)C(O)CCc1ccccc1
InChIInChI=1S/C17H16F4O3S/c18-16(19,15(22)12-11-13-7-3-1-4-8-13)17(20,21)25(23,24)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2
InChIKeyGMGYEXAMMCAUSK-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.68
Rot. Bonds7

About 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol

1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol (PubChem CID 122232699) has the molecular formula C17H16F4O3S and a molecular weight of 376.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol
PubChem CID122232699
Molecular FormulaC17H16F4O3S
Molecular Weight376.37 g/mol
Exact Mass376.08
IUPAC Name1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(F)(F)C(O)CCc1ccccc1
InChIInChI=1S/C17H16F4O3S/c18-16(19,15(22)12-11-13-7-3-1-4-8-13)17(20,21)25(23,24)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2
InChIKeyGMGYEXAMMCAUSK-UHFFFAOYSA-N
XLogP3.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
5,5-Bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
CID 155519218
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
2,2-Difluoro-1-phenyl-2-phenylsulfonylethanol
CID 14291989
2-(Phenylsulfonyl)-1-(4-(trifluoromethyl)phenyl)ethanol
CID 44437666
2,2-Difluoro-1-(4-methylphenyl)-2-phenylsulfonylethanol
CID 14291991
2-(Benzenesulfonyl)-2-fluoro-1-phenylethanol
CID 13460265
2-(Benzenesulfonyl)-2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 13460268
(3S)-4,4-bis(benzenesulfonyl)-4-fluoro-3-phenylbutan-1-ol
CID 101481379
(3S)-4,4-bis(benzenesulfonyl)-4-fluoro-3-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 101483661
2,2-Bis(benzenesulfonyl)-1-cyclohexyl-2-fluoroethanol
CID 101783929
1,1-Bis(benzenesulfonyl)-1-fluoro-4-phenylbutan-2-ol
CID 101783932

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol?
The IUPAC name of 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol (CID 122232699) is 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol?
The canonical SMILES for 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol is O=S(=O)(c1ccccc1)C(F)(F)C(F)(F)C(O)CCc1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol?
The InChIKey is GMGYEXAMMCAUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4O3S/c18-16(19,15(22)12-11-13-7-3-1-4-8-13)17(20,21)25(23,24)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2.
What are the key properties of 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol?
1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol has a molecular weight of 376.37 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol is sourced from PubChem (CID 122232699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).