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

C12H14FN3OS — CID 107047898

IUPAC1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)CSc2ccccc2F)nn1
InChIInChI=1S/C12H14FN3OS/c1-16-7-9(14-15-16)6-10(17)8-18-12-5-3-2-4-11(12)13/h2-5,7,10,17H,6,8H2,1H3
InChIKeyGSHAAABKOUSFDN-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.65
Rot. Bonds5

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

1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 107047898) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID107047898
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)CSc2ccccc2F)nn1
InChIInChI=1S/C12H14FN3OS/c1-16-7-9(14-15-16)6-10(17)8-18-12-5-3-2-4-11(12)13/h2-5,7,10,17H,6,8H2,1H3
InChIKeyGSHAAABKOUSFDN-UHFFFAOYSA-N
XLogP1.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
CID 55066799
2-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 55067235
2-[1-[2-[3-(Trifluoromethyl)phenyl]sulfanylethyl]triazol-4-yl]ethanol
CID 62399278
[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
CID 62400373
2-[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 62402082
1-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 81443814
1-[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 81443938
3-[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]propan-1-ol
CID 104093483
3-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]propan-1-ol
CID 104093552
1-(2-Fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-one
CID 107047188
1-(3-Fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-one
CID 107047190
1-(3-Fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047900

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol (CID 107047898) is 1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol is Cn1cc(CC(O)CSc2ccccc2F)nn1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is GSHAAABKOUSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-16-7-9(14-15-16)6-10(17)8-18-12-5-3-2-4-11(12)13/h2-5,7,10,17H,6,8H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol?
1-(2-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 267.33 g/mol, XLogP of 1.65, 5 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-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107047898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).