2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione

C23H19FO2 — CID 175526561

IUPAC2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
SMILESCC(F)C(C(=O)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19FO2/c1-17(24)23(20-15-9-4-10-16-20,21(25)18-11-5-2-6-12-18)22(26)19-13-7-3-8-14-19/h2-17H,1H3
InChIKeyYSYKFVNZYOBRHC-UHFFFAOYSA-N
MW346.40 g/mol
LogP5.05
Rot. Bonds6

About 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione

2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione (PubChem CID 175526561) has the molecular formula C23H19FO2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione.

Molecular Properties

Compound Name2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
PubChem CID175526561
Molecular FormulaC23H19FO2
Molecular Weight346.40 g/mol
Exact Mass346.14
IUPAC Name2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
SMILESCC(F)C(C(=O)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19FO2/c1-17(24)23(20-15-9-4-10-16-20,21(25)18-11-5-2-6-12-18)22(26)19-13-7-3-8-14-19/h2-17H,1H3
InChIKeyYSYKFVNZYOBRHC-UHFFFAOYSA-N
XLogP5.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one
CID 14433421
2-chloro-1,2,2-triphenylethanone
CID 11301235
3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one
CID 151177230
2,2-difluoro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 10513528
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
lithium;sodium;hydride;2-phenyl-2-propan-2-ylpropanedioic acid
CID 174968652
potassium;sodium;2-phenyl-2-propan-2-ylpropanedioate
CID 139411731
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
2,2-di(butan-2-yloxy)-1,2-diphenylethanone
CID 19035365
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone
CID 126699875

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione?
The IUPAC name of 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione (CID 175526561) is 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione.
What is the SMILES notation for 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione?
The canonical SMILES for 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione is CC(F)C(C(=O)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione?
The InChIKey is YSYKFVNZYOBRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO2/c1-17(24)23(20-15-9-4-10-16-20,21(25)18-11-5-2-6-12-18)22(26)19-13-7-3-8-14-19/h2-17H,1H3.
What are the key properties of 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione?
2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione has a molecular weight of 346.40 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione is sourced from PubChem (CID 175526561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).