1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol

C11H11F2N3O2 — CID 154406883

IUPAC1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol
SMILESCC(O)c1ncnn1-c1cccc(OC(F)F)c1
InChIInChI=1S/C11H11F2N3O2/c1-7(17)10-14-6-15-16(10)8-3-2-4-9(5-8)18-11(12)13/h2-7,11,17H,1H3
InChIKeyZYGYNNKGEKIKBL-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.92
Rot. Bonds4

About 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol

1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol (PubChem CID 154406883) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol
PubChem CID154406883
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol
SMILESCC(O)c1ncnn1-c1cccc(OC(F)F)c1
InChIInChI=1S/C11H11F2N3O2/c1-7(17)10-14-6-15-16(10)8-3-2-4-9(5-8)18-11(12)13/h2-7,11,17H,1H3
InChIKeyZYGYNNKGEKIKBL-UHFFFAOYSA-N
XLogP1.92
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999820
1-[3-(difluoromethoxy)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114979951
1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157410004
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol
CID 103971224
3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole
CID 19587059
4-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-5-one
CID 112758289
3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide
CID 99625046
[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 114971543
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55715513

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol (CID 154406883) is 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol is CC(O)c1ncnn1-c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol?
The InChIKey is ZYGYNNKGEKIKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-7(17)10-14-6-15-16(10)8-3-2-4-9(5-8)18-11(12)13/h2-7,11,17H,1H3.
What are the key properties of 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol?
1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol has a molecular weight of 255.22 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 154406883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).