1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol

C17H18F2OS2 — CID 155919957

IUPAC1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol
SMILESOC(CSCc1ccc(F)cc1)CSCc1ccc(F)cc1
InChIInChI=1S/C17H18F2OS2/c18-15-5-1-13(2-6-15)9-21-11-17(20)12-22-10-14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
InChIKeyXWYZVVAZGMNUBP-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.49
Rot. Bonds8

About 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol

1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol (PubChem CID 155919957) has the molecular formula C17H18F2OS2 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol
PubChem CID155919957
Molecular FormulaC17H18F2OS2
Molecular Weight340.46 g/mol
Exact Mass340.08
IUPAC Name1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol
SMILESOC(CSCc1ccc(F)cc1)CSCc1ccc(F)cc1
InChIInChI=1S/C17H18F2OS2/c18-15-5-1-13(2-6-15)9-21-11-17(20)12-22-10-14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
InChIKeyXWYZVVAZGMNUBP-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol?
The IUPAC name of 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol (CID 155919957) is 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol.
What is the SMILES notation for 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol?
The canonical SMILES for 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol is OC(CSCc1ccc(F)cc1)CSCc1ccc(F)cc1.
What is the InChIKey of 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol?
The InChIKey is XWYZVVAZGMNUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2OS2/c18-15-5-1-13(2-6-15)9-21-11-17(20)12-22-10-14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2.
What are the key properties of 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol?
1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol has a molecular weight of 340.46 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-fluorophenyl)methylsulfanyl]propan-2-ol is sourced from PubChem (CID 155919957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).