(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol

C11H12FN3OS — CID 78951688

IUPAC(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
SMILESCc1nc(Sc2ccc(F)cc2[C@@H](C)O)n[nH]1
InChIInChI=1S/C11H12FN3OS/c1-6(16)9-5-8(12)3-4-10(9)17-11-13-7(2)14-15-11/h3-6,16H,1-2H3,(H,13,14,15)/t6-/m1/s1
InChIKeyFODBOEVCJGWYPA-ZCFIWIBFSA-N
MW253.30 g/mol
LogP2.46
Rot. Bonds3

About (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol

(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol (PubChem CID 78951688) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
PubChem CID78951688
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
SMILESCc1nc(Sc2ccc(F)cc2[C@@H](C)O)n[nH]1
InChIInChI=1S/C11H12FN3OS/c1-6(16)9-5-8(12)3-4-10(9)17-11-13-7(2)14-15-11/h3-6,16H,1-2H3,(H,13,14,15)/t6-/m1/s1
InChIKeyFODBOEVCJGWYPA-ZCFIWIBFSA-N
XLogP2.46
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol with MolForge

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Related Compounds

(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 63834992
1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
CID 107783375
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
4-ethyl-3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 78951593
(1S)-1-[5-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 63813093
(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 114001142
(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol
CID 63813808
1-(2,4-difluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 60708864
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 113298870

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol (CID 78951688) is (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol is Cc1nc(Sc2ccc(F)cc2[C@@H](C)O)n[nH]1.
What is the InChIKey of (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The InChIKey is FODBOEVCJGWYPA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-6(16)9-5-8(12)3-4-10(9)17-11-13-7(2)14-15-11/h3-6,16H,1-2H3,(H,13,14,15)/t6-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol has a molecular weight of 253.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 78951688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).