1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one

C11H9Cl2F3O — CID 64567976

IUPAC1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2F3O/c12-9-2-1-3-10(13)8(9)6-7(17)4-5-11(14,15)16/h1-3H,4-6H2
InChIKeyXJDFYTZZUPYVEX-UHFFFAOYSA-N
MW285.09 g/mol
LogP4.45
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one

1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one (PubChem CID 64567976) has the molecular formula C11H9Cl2F3O and a molecular weight of 285.09 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one
PubChem CID64567976
Molecular FormulaC11H9Cl2F3O
Molecular Weight285.09 g/mol
Exact Mass284.00
IUPAC Name1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2F3O/c12-9-2-1-3-10(13)8(9)6-7(17)4-5-11(14,15)16/h1-3H,4-6H2
InChIKeyXJDFYTZZUPYVEX-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-4-methoxybutan-2-one
CID 62620067
1-(2,6-dichlorophenyl)heptan-2-one
CID 62621571
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one
CID 79955039
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565
1-(3-chloro-2-pyridinyl)-4,4,4-trifluorobutan-1-one
CID 103443231
sodium 2-(2,6-dichlorophenyl)acetate
CID 153409108
4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
CID 116580998
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-one
CID 65097700
5,5,5-trifluoro-1-thiophen-2-ylpentan-2-one
CID 64565094
7-amino-1-(2-chloro-6-fluorophenyl)heptan-2-one
CID 116549930
1-(2-chloro-6-fluorophenyl)-4-(dimethylamino)butan-2-one
CID 115345698

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one (CID 64567976) is 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one is O=C(CCC(F)(F)F)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one?
The InChIKey is XJDFYTZZUPYVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3O/c12-9-2-1-3-10(13)8(9)6-7(17)4-5-11(14,15)16/h1-3H,4-6H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one?
1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one has a molecular weight of 285.09 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 64567976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).