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

C10H7F2N3O — CID 57279001

IUPAC2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(c1ccc(F)cc1)C(F)c1ncn[nH]1
InChIInChI=1S/C10H7F2N3O/c11-7-3-1-6(2-4-7)9(16)8(12)10-13-5-14-15-10/h1-5,8H,(H,13,14,15)
InChIKeySKVWYHLOUYDQDJ-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.84
Rot. Bonds3

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

2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone (PubChem CID 57279001) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone.

Molecular Properties

Compound Name2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone
PubChem CID57279001
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(c1ccc(F)cc1)C(F)c1ncn[nH]1
InChIInChI=1S/C10H7F2N3O/c11-7-3-1-6(2-4-7)9(16)8(12)10-13-5-14-15-10/h1-5,8H,(H,13,14,15)
InChIKeySKVWYHLOUYDQDJ-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Phenyl-1-(4H-1,2,4-triazol-3-yl)-heptan-1-one
CID 24950681
1-phenyl-3-(4H-1,2,4-triazol-3-yl)propane-1,3-dione
CID 71814480
1-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one
CID 21253997
3-benzoyl-4H-1,2,4-triazole
CID 12324723
3-(4-Trifluoromethylbenzoyl)-1,2,4-triazole
CID 12097195
3-(4-fluorobenzoyl)-4H-1,2,4-triazole
CID 20226690
1-cyclopropyl-3-[4-fluoro-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]propane-1,3-dione
CID 54530191
2-fluoro-3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 57111350
1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone
CID 57125119
2-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)acetaldehyde
CID 57214006
1-Phenyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone
CID 58370504
1-(2,4-Difluorophenyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
CID 60748019

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone?
The IUPAC name of 2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone (CID 57279001) is 2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone.
What is the SMILES notation for 2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone?
The canonical SMILES for 2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone is O=C(c1ccc(F)cc1)C(F)c1ncn[nH]1.
What is the InChIKey of 2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone?
The InChIKey is SKVWYHLOUYDQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-7-3-1-6(2-4-7)9(16)8(12)10-13-5-14-15-10/h1-5,8H,(H,13,14,15).
What are the key properties of 2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone?
2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone has a molecular weight of 223.18 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone is sourced from PubChem (CID 57279001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).