4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one

C10H8F4O — CID 64564882

IUPAC4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C10H8F4O/c11-8-3-1-7(2-4-8)9(15)5-6-10(12,13)14/h1-4H,5-6H2
InChIKeyAKYFEZCJHCXLCJ-UHFFFAOYSA-N
MW220.17 g/mol
LogP3.35
Rot. Bonds3

About 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one

4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one (PubChem CID 64564882) has the molecular formula C10H8F4O and a molecular weight of 220.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one
PubChem CID64564882
Molecular FormulaC10H8F4O
Molecular Weight220.17 g/mol
Exact Mass220.05
IUPAC Name4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C10H8F4O/c11-8-3-1-7(2-4-8)9(15)5-6-10(12,13)14/h1-4H,5-6H2
InChIKeyAKYFEZCJHCXLCJ-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one (CID 64564882) is 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one is O=C(CCC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one?
The InChIKey is AKYFEZCJHCXLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c11-8-3-1-7(2-4-8)9(15)5-6-10(12,13)14/h1-4H,5-6H2.
What are the key properties of 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one?
4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one has a molecular weight of 220.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 64564882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).