1-(2,4-dichloro-6-fluorophenyl)butan-1-one

C10H9Cl2FO — CID 130067754

IUPAC1-(2,4-dichloro-6-fluorophenyl)butan-1-one
SMILESCCCC(=O)c1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2FO/c1-2-3-9(14)10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3
InChIKeyVCBFTJWAFMMGLV-UHFFFAOYSA-N
MW235.08 g/mol
LogP4.12
Rot. Bonds3

About 1-(2,4-dichloro-6-fluorophenyl)butan-1-one

1-(2,4-dichloro-6-fluorophenyl)butan-1-one (PubChem CID 130067754) has the molecular formula C10H9Cl2FO and a molecular weight of 235.08 g/mol. Its IUPAC name is 1-(2,4-dichloro-6-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name1-(2,4-dichloro-6-fluorophenyl)butan-1-one
PubChem CID130067754
Molecular FormulaC10H9Cl2FO
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC Name1-(2,4-dichloro-6-fluorophenyl)butan-1-one
SMILESCCCC(=O)c1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2FO/c1-2-3-9(14)10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3
InChIKeyVCBFTJWAFMMGLV-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-6-fluorophenyl)butan-1-one?
The IUPAC name of 1-(2,4-dichloro-6-fluorophenyl)butan-1-one (CID 130067754) is 1-(2,4-dichloro-6-fluorophenyl)butan-1-one.
What is the SMILES notation for 1-(2,4-dichloro-6-fluorophenyl)butan-1-one?
The canonical SMILES for 1-(2,4-dichloro-6-fluorophenyl)butan-1-one is CCCC(=O)c1c(F)cc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-6-fluorophenyl)butan-1-one?
The InChIKey is VCBFTJWAFMMGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FO/c1-2-3-9(14)10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2,4-dichloro-6-fluorophenyl)butan-1-one?
1-(2,4-dichloro-6-fluorophenyl)butan-1-one has a molecular weight of 235.08 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 1-(2,4-dichloro-6-fluorophenyl)butan-1-one is sourced from PubChem (CID 130067754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).