2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

C10H9F2N3O — CID 82920324

IUPAC2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1ncn[nH]1
InChIInChI=1S/C10H9F2N3O/c11-7-2-1-6(3-8(7)12)4-9(16)10-13-5-14-15-10/h1-3,5,9,16H,4H2,(H,13,14,15)
InChIKeySLPJHXNXPXSHDA-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.36
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 82920324) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID82920324
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1ncn[nH]1
InChIInChI=1S/C10H9F2N3O/c11-7-2-1-6(3-8(7)12)4-9(16)10-13-5-14-15-10/h1-3,5,9,16H,4H2,(H,13,14,15)
InChIKeySLPJHXNXPXSHDA-UHFFFAOYSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65362826
2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65479320
2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363176
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363109
1-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97341735
1-[(2S)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97341732
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 82920135
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072
1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103040125
3,3,3-trifluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 140635081

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 82920324) is 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is OC(Cc1ccc(F)c(F)c1)c1ncn[nH]1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is SLPJHXNXPXSHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-7-2-1-6(3-8(7)12)4-9(16)10-13-5-14-15-10/h1-3,5,9,16H,4H2,(H,13,14,15).
What are the key properties of 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 225.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 82920324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).