5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one

C11H11Cl2FO — CID 102857222

IUPAC5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one
SMILESO=C(CCCCl)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H11Cl2FO/c12-6-2-4-9(15)7-8-3-1-5-10(13)11(8)14/h1,3,5H,2,4,6-7H2
InChIKeyXTQNGLQDJIFKIF-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.61
Rot. Bonds5

About 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one

5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one (PubChem CID 102857222) has the molecular formula C11H11Cl2FO and a molecular weight of 249.11 g/mol. Its IUPAC name is 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one
PubChem CID102857222
Molecular FormulaC11H11Cl2FO
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one
SMILESO=C(CCCCl)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H11Cl2FO/c12-6-2-4-9(15)7-8-3-1-5-10(13)11(8)14/h1,3,5H,2,4,6-7H2
InChIKeyXTQNGLQDJIFKIF-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
1-(3-chloro-2-fluorophenyl)-5-methylhex-5-en-2-one
CID 114473716
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
1-chloro-3-(4-chlorobutyl)-2-fluorobenzene
CID 102862230
5-chloro-1-(2,6-difluorophenyl)pentan-2-one
CID 114931358
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 82801940
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
1-(3-chloro-2-fluorophenyl)-5-methoxyhexan-2-one
CID 102865728
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-one
CID 102857196
1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one
CID 106677607

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one?
The IUPAC name of 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one (CID 102857222) is 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one.
What is the SMILES notation for 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one?
The canonical SMILES for 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one is O=C(CCCCl)Cc1cccc(Cl)c1F.
What is the InChIKey of 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one?
The InChIKey is XTQNGLQDJIFKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FO/c12-6-2-4-9(15)7-8-3-1-5-10(13)11(8)14/h1,3,5H,2,4,6-7H2.
What are the key properties of 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one?
5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one has a molecular weight of 249.11 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one is sourced from PubChem (CID 102857222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).