2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone

C10H7ClFN3O — CID 65362986

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ncn[nH]1
InChIInChI=1S/C10H7ClFN3O/c11-7-2-1-3-8(12)6(7)4-9(16)10-13-5-14-15-10/h1-3,5H,4H2,(H,13,14,15)
InChIKeyQAHYWZMXVNGPPE-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.02
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone (PubChem CID 65362986) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
PubChem CID65362986
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ncn[nH]1
InChIInChI=1S/C10H7ClFN3O/c11-7-2-1-3-8(12)6(7)4-9(16)10-13-5-14-15-10/h1-3,5H,4H2,(H,13,14,15)
InChIKeyQAHYWZMXVNGPPE-UHFFFAOYSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548180
2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone
CID 63749070
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363109
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 962179
1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 113398206
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
CID 107976486
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone (CID 65362986) is 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone is O=C(Cc1c(F)cccc1Cl)c1ncn[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone?
The InChIKey is QAHYWZMXVNGPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-7-2-1-3-8(12)6(7)4-9(16)10-13-5-14-15-10/h1-3,5H,4H2,(H,13,14,15).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone has a molecular weight of 239.64 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone is sourced from PubChem (CID 65362986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).