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

C14H18FN3OS — CID 66054022

IUPAC1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCC(C)n1ncnc1CC(O)CSc1ccccc1F
InChIInChI=1S/C14H18FN3OS/c1-10(2)18-14(16-9-17-18)7-11(19)8-20-13-6-4-3-5-12(13)15/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyRXFKTCFVKIGTFB-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.69
Rot. Bonds6

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

1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 66054022) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID66054022
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCC(C)n1ncnc1CC(O)CSc1ccccc1F
InChIInChI=1S/C14H18FN3OS/c1-10(2)18-14(16-9-17-18)7-11(19)8-20-13-6-4-3-5-12(13)15/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyRXFKTCFVKIGTFB-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.69
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-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (CID 66054022) is 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is CC(C)n1ncnc1CC(O)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is RXFKTCFVKIGTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-10(2)18-14(16-9-17-18)7-11(19)8-20-13-6-4-3-5-12(13)15/h3-6,9-11,19H,7-8H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 2.69, 6 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-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 66054022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).