1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol

C10H10FN3O — CID 43506235

IUPAC1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1-n1cncn1
InChIInChI=1S/C10H10FN3O/c1-7(15)10-8(11)3-2-4-9(10)14-6-12-5-13-14/h2-7,15H,1H3
InChIKeyPDVLEDRINHBEAM-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.46
Rot. Bonds2

About 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol

1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol (PubChem CID 43506235) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol
PubChem CID43506235
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1-n1cncn1
InChIInChI=1S/C10H10FN3O/c1-7(15)10-8(11)3-2-4-9(10)14-6-12-5-13-14/h2-7,15H,1H3
InChIKeyPDVLEDRINHBEAM-UHFFFAOYSA-N
XLogP1.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 62487974
(1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol
CID 63372128
1-(2,6-difluorophenyl)ethanol
CID 5012075
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]propan-2-ol
CID 117315539
(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 82695199
1-[2-(2,2-dimethylbutyl)-3-fluorophenyl]-1,2,4-triazole
CID 70834017
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
ethyl 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrazole-4-carboxylate
CID 81497688
(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-fluorophenyl]ethanol
CID 64577080

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol (CID 43506235) is 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol is CC(O)c1c(F)cccc1-n1cncn1.
What is the InChIKey of 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol?
The InChIKey is PDVLEDRINHBEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-7(15)10-8(11)3-2-4-9(10)14-6-12-5-13-14/h2-7,15H,1H3.
What are the key properties of 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol?
1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol has a molecular weight of 207.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 43506235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).