1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one

C11H9ClF4O — CID 115515852

IUPAC1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C11H9ClF4O/c12-7-3-4-8(9(13)6-7)10(17)2-1-5-11(14,15)16/h3-4,6H,1-2,5H2
InChIKeyLUIYBOWNTGOOBE-UHFFFAOYSA-N
MW268.64 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one

1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one (PubChem CID 115515852) has the molecular formula C11H9ClF4O and a molecular weight of 268.64 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one
PubChem CID115515852
Molecular FormulaC11H9ClF4O
Molecular Weight268.64 g/mol
Exact Mass268.03
IUPAC Name1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C11H9ClF4O/c12-7-3-4-8(9(13)6-7)10(17)2-1-5-11(14,15)16/h3-4,6H,1-2,5H2
InChIKeyLUIYBOWNTGOOBE-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.64
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoro-1-(2,3,4-trifluorophenyl)pentan-1-one
CID 115792229
1-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 113230951
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726100
ethyl 6-(4-chloro-2-fluorophenyl)-6-oxohexanoate
CID 24727649
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one
CID 115792182
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
methyl 4-(4-chloro-2-fluorophenyl)-4-oxobutanoate
CID 114859571
1-(4-chloro-2-fluorophenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606153
1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one
CID 105123407
1-(3-bromo-2-chlorophenyl)-5,5,5-trifluoropentan-1-one
CID 115792374
1-(5-chloro-2-fluorophenyl)pentan-1-one
CID 83988319

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one (CID 115515852) is 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one?
The InChIKey is LUIYBOWNTGOOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF4O/c12-7-3-4-8(9(13)6-7)10(17)2-1-5-11(14,15)16/h3-4,6H,1-2,5H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one?
1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one has a molecular weight of 268.64 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 115515852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).