2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone

C15H9F5O — CID 61078269

IUPAC2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone
SMILESCc1ccc(CC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H9F5O/c1-7-2-4-8(5-3-7)6-9(21)10-11(16)13(18)15(20)14(19)12(10)17/h2-5H,6H2,1H3
InChIKeyDGGUEZPSRBFKAY-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.12
Rot. Bonds3

About 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone

2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone (PubChem CID 61078269) has the molecular formula C15H9F5O and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone
PubChem CID61078269
Molecular FormulaC15H9F5O
Molecular Weight300.23 g/mol
Exact Mass300.06
IUPAC Name2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone
SMILESCc1ccc(CC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H9F5O/c1-7-2-4-8(5-3-7)6-9(21)10-11(16)13(18)15(20)14(19)12(10)17/h2-5H,6H2,1H3
InChIKeyDGGUEZPSRBFKAY-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 106941686
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
2-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 157105771
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 25236881
3-(4-methylphenyl)-1-(3,4,5-trifluorophenyl)propan-1-one
CID 24725759
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone (CID 61078269) is 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone is Cc1ccc(CC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone?
The InChIKey is DGGUEZPSRBFKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5O/c1-7-2-4-8(5-3-7)6-9(21)10-11(16)13(18)15(20)14(19)12(10)17/h2-5H,6H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone?
2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone has a molecular weight of 300.23 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone is sourced from PubChem (CID 61078269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).