1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone

C10H8FN3O — CID 90400618

IUPAC1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-n1nccn1
InChIInChI=1S/C10H8FN3O/c1-7(15)9-3-2-8(11)6-10(9)14-12-4-5-13-14/h2-6H,1H3
InChIKeyWHXBRKMJRYNSRM-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.61
Rot. Bonds2

About 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone

1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone (PubChem CID 90400618) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone
PubChem CID90400618
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-n1nccn1
InChIInChI=1S/C10H8FN3O/c1-7(15)9-3-2-8(11)6-10(9)14-12-4-5-13-14/h2-6H,1H3
InChIKeyWHXBRKMJRYNSRM-UHFFFAOYSA-N
XLogP1.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)ethanone;1-[5-fluoro-2-(triazol-2-yl)phenyl]ethanol;1-[5-fluoro-2-(triazol-2-yl)phenyl]ethanone
CID 161426925
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
(3R,6R)-1-[4-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 86729685
2-(4-fluoro-2-methylphenyl)triazole
CID 69088112
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
2-acetyl-5-fluorobenzoic acid
CID 117279010
1-(5-fluoro-2-phosphanylphenyl)ethanone
CID 145488080
2-(2-chloro-4-fluorophenyl)triazole
CID 72711579
potassium 4-methyl-2-(triazol-2-yl)benzoate
CID 135371590
N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
CID 146589961
N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 75484643
[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 70981024

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone (CID 90400618) is 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone is CC(=O)c1ccc(F)cc1-n1nccn1.
What is the InChIKey of 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone?
The InChIKey is WHXBRKMJRYNSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-7(15)9-3-2-8(11)6-10(9)14-12-4-5-13-14/h2-6H,1H3.
What are the key properties of 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone?
1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone has a molecular weight of 205.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone is sourced from PubChem (CID 90400618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).