5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one

C11H10F4O — CID 64565924

IUPAC5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1ccc(F)cc1
InChIInChI=1S/C11H10F4O/c12-9-3-1-8(2-4-9)7-10(16)5-6-11(13,14)15/h1-4H,5-7H2
InChIKeyNKZLRABDQPYBIX-UHFFFAOYSA-N
MW234.19 g/mol
LogP3.28
Rot. Bonds4

About 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one

5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one (PubChem CID 64565924) has the molecular formula C11H10F4O and a molecular weight of 234.19 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one
PubChem CID64565924
Molecular FormulaC11H10F4O
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Name5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1ccc(F)cc1
InChIInChI=1S/C11H10F4O/c12-9-3-1-8(2-4-9)7-10(16)5-6-11(13,14)15/h1-4H,5-7H2
InChIKeyNKZLRABDQPYBIX-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-fluorophenyl)pentane-2,4-dione
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1-(4-fluorophenyl)-5-phenylpentan-2-one
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CID 62551750
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1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
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1-(4-fluorophenyl)butane-2,3-dione
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CID 10291911

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one (CID 64565924) is 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one is O=C(CCC(F)(F)F)Cc1ccc(F)cc1.
What is the InChIKey of 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one?
The InChIKey is NKZLRABDQPYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O/c12-9-3-1-8(2-4-9)7-10(16)5-6-11(13,14)15/h1-4H,5-7H2.
What are the key properties of 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one?
5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one has a molecular weight of 234.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one is sourced from PubChem (CID 64565924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).