1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol

C15H20FN3OS — CID 66051712

IUPAC1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
SMILESCC(C)Cn1ncnc1CC(O)CSc1ccccc1F
InChIInChI=1S/C15H20FN3OS/c1-11(2)8-19-15(17-10-18-19)7-12(20)9-21-14-6-4-3-5-13(14)16/h3-6,10-12,20H,7-9H2,1-2H3
InChIKeyRUIVLIKANJNKKC-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.77
Rot. Bonds7

About 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol

1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol (PubChem CID 66051712) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
PubChem CID66051712
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
SMILESCC(C)Cn1ncnc1CC(O)CSc1ccccc1F
InChIInChI=1S/C15H20FN3OS/c1-11(2)8-19-15(17-10-18-19)7-12(20)9-21-14-6-4-3-5-13(14)16/h3-6,10-12,20H,7-9H2,1-2H3
InChIKeyRUIVLIKANJNKKC-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol (CID 66051712) is 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol is CC(C)Cn1ncnc1CC(O)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
The InChIKey is RUIVLIKANJNKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c1-11(2)8-19-15(17-10-18-19)7-12(20)9-21-14-6-4-3-5-13(14)16/h3-6,10-12,20H,7-9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol is sourced from PubChem (CID 66051712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).