1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

C10H7F2N3O — CID 723809

IUPAC1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(F)c(F)c1
InChIInChI=1S/C10H7F2N3O/c11-8-2-1-7(3-9(8)12)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChIKeyJRNODLCIGOCBKO-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.44
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 723809) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID723809
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(F)c(F)c1
InChIInChI=1S/C10H7F2N3O/c11-8-2-1-7(3-9(8)12)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChIKeyJRNODLCIGOCBKO-UHFFFAOYSA-N
XLogP1.44
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone (CID 723809) is 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is JRNODLCIGOCBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-8-2-1-7(3-9(8)12)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 223.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 723809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).