2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol

C11H12FN3OS — CID 114686542

IUPAC2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol
SMILESCn1nncc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C11H12FN3OS/c1-15-10(6-13-14-15)11(16)7-17-9-4-2-3-8(12)5-9/h2-6,11,16H,7H2,1H3
InChIKeyPWODZRAPBHBDJF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.78
Rot. Bonds4

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

2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol (PubChem CID 114686542) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol
PubChem CID114686542
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol
SMILESCn1nncc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C11H12FN3OS/c1-15-10(6-13-14-15)11(16)7-17-9-4-2-3-8(12)5-9/h2-6,11,16H,7H2,1H3
InChIKeyPWODZRAPBHBDJF-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.78
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
[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
CID 62400373
2-[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 62402082
2-(2-Fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66051518
2-(3-Fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66070411
2-(4-Fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66072414
1-[1-[2-[3-(Trifluoromethyl)phenyl]sulfanylethyl]triazol-4-yl]ethanol
CID 81436231
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol (CID 114686542) is 2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol is Cn1nncc1C(O)CSc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol?
The InChIKey is PWODZRAPBHBDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-15-10(6-13-14-15)11(16)7-17-9-4-2-3-8(12)5-9/h2-6,11,16H,7H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol?
2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol has a molecular weight of 253.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).