2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol

C20H24F2O2S — CID 134882046

IUPAC2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(C)S(=O)C(C)(C)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H24F2O2S/c1-18(2,3)25(24)19(4,5)20(23,14-6-10-16(21)11-7-14)15-8-12-17(22)13-9-15/h6-13,23H,1-5H3
InChIKeyMROFHKSQTJQMPT-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.53
Rot. Bonds4

About 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol

2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 134882046) has the molecular formula C20H24F2O2S and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol
PubChem CID134882046
Molecular FormulaC20H24F2O2S
Molecular Weight366.47 g/mol
Exact Mass366.15
IUPAC Name2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(C)S(=O)C(C)(C)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H24F2O2S/c1-18(2,3)25(24)19(4,5)20(23,14-6-10-16(21)11-7-14)15-8-12-17(22)13-9-15/h6-13,23H,1-5H3
InChIKeyMROFHKSQTJQMPT-UHFFFAOYSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol (CID 134882046) is 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol is CC(C)(C)S(=O)C(C)(C)C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is MROFHKSQTJQMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2O2S/c1-18(2,3)25(24)19(4,5)20(23,14-6-10-16(21)11-7-14)15-8-12-17(22)13-9-15/h6-13,23H,1-5H3.
What are the key properties of 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol?
2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 366.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-1,1-bis(4-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 134882046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).