1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol

C15H16FNOS — CID 118321425

IUPAC1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol
SMILESCC(F)C(O)c1ncccc1SCc1ccccc1
InChIInChI=1S/C15H16FNOS/c1-11(16)15(18)14-13(8-5-9-17-14)19-10-12-6-3-2-4-7-12/h2-9,11,15,18H,10H2,1H3
InChIKeyRJIZGZHSXLGWEZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.77
Rot. Bonds5

About 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol

1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol (PubChem CID 118321425) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol
PubChem CID118321425
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol
SMILESCC(F)C(O)c1ncccc1SCc1ccccc1
InChIInChI=1S/C15H16FNOS/c1-11(16)15(18)14-13(8-5-9-17-14)19-10-12-6-3-2-4-7-12/h2-9,11,15,18H,10H2,1H3
InChIKeyRJIZGZHSXLGWEZ-UHFFFAOYSA-N
XLogP3.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol?
The IUPAC name of 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol (CID 118321425) is 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol.
What is the SMILES notation for 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol?
The canonical SMILES for 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol is CC(F)C(O)c1ncccc1SCc1ccccc1.
What is the InChIKey of 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol?
The InChIKey is RJIZGZHSXLGWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-11(16)15(18)14-13(8-5-9-17-14)19-10-12-6-3-2-4-7-12/h2-9,11,15,18H,10H2,1H3.
What are the key properties of 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol?
1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol has a molecular weight of 277.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol is sourced from PubChem (CID 118321425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).