1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one

C17H14FN3O — CID 46890422

IUPAC1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one
SMILESO=C(CCc1cnnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O/c18-14-6-4-5-13(11-14)17(22)10-9-16-12-19-20-21(16)15-7-2-1-3-8-15/h1-8,11-12H,9-10H2
InChIKeyYGWRRBDEDJRXTH-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.22
Rot. Bonds5

About 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one

1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one (PubChem CID 46890422) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one
PubChem CID46890422
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one
SMILESO=C(CCc1cnnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O/c18-14-6-4-5-13(11-14)17(22)10-9-16-12-19-20-21(16)15-7-2-1-3-8-15/h1-8,11-12H,9-10H2
InChIKeyYGWRRBDEDJRXTH-UHFFFAOYSA-N
XLogP3.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone
CID 2307365
1-phenyl-3-(1-m-tolyl-1H-tetrazol-5-yl)propan-1-one
CID 46890278
(2-Methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681516
(2-Aminophenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681680
(3-Aminophenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681681
(4-Aminophenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681682
(2-aminophenyl)(1-(3-isopropylphenyl)-1H-1,2,3-triazol-4-yl)methanone
CID 71681838
(2-Aminophenyl)-[1-(3-ethylphenyl)triazol-4-yl]methanone
CID 71681839
(2-Aminophenyl)-(1-phenyltriazol-4-yl)methanone
CID 71681842
1-[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]ethan-1-one
CID 747469
4-(5-tert-Butyl-[1,2,3]triazol-1-yl)-benzaldehyde
CID 781397
[4-[[4-(4-Pentylphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
CID 24793584

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one (CID 46890422) is 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one is O=C(CCc1cnnn1-c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one?
The InChIKey is YGWRRBDEDJRXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-14-6-4-5-13(11-14)17(22)10-9-16-12-19-20-21(16)15-7-2-1-3-8-15/h1-8,11-12H,9-10H2.
What are the key properties of 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one?
1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one has a molecular weight of 295.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(3-phenyltriazol-4-yl)propan-1-one is sourced from PubChem (CID 46890422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).