5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one

C11H11Cl2FO — CID 66044445

IUPAC5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
SMILESO=C(CCCCl)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11Cl2FO/c12-6-2-3-8(15)7-9-10(13)4-1-5-11(9)14/h1,4-5H,2-3,6-7H2
InChIKeyTZKPZHFRTOWBCH-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.61
Rot. Bonds5

About 5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one

5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one (PubChem CID 66044445) has the molecular formula C11H11Cl2FO and a molecular weight of 249.11 g/mol. Its IUPAC name is 5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
PubChem CID66044445
Molecular FormulaC11H11Cl2FO
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
SMILESO=C(CCCCl)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11Cl2FO/c12-6-2-3-8(15)7-9-10(13)4-1-5-11(9)14/h1,4-5H,2-3,6-7H2
InChIKeyTZKPZHFRTOWBCH-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-(2,6-difluorophenyl)pentan-2-one
CID 114931358
7-amino-1-(2-chloro-6-fluorophenyl)heptan-2-one
CID 116549930
1-(2-chloro-6-fluorophenyl)-5-methoxypentan-2-one
CID 63023516
1-(2-chloro-6-fluorophenyl)-5-methylsulfonylpentan-2-one
CID 63192120
5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one
CID 102857222
1-(2-chloro-6-fluorophenyl)-4-(dimethylamino)butan-2-one
CID 115345698
1-(2-chloro-6-fluorophenyl)-5-methylhex-5-en-2-one
CID 114473539
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one
CID 105082607
4-(4-aminophenyl)-1-(2-chloro-6-fluorophenyl)butan-2-one
CID 116605403
1-(2-chloro-6-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556368
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one?
The IUPAC name of 5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one (CID 66044445) is 5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one.
What is the SMILES notation for 5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one?
The canonical SMILES for 5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one is O=C(CCCCl)Cc1c(F)cccc1Cl.
What is the InChIKey of 5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one?
The InChIKey is TZKPZHFRTOWBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FO/c12-6-2-3-8(15)7-9-10(13)4-1-5-11(9)14/h1,4-5H,2-3,6-7H2.
What are the key properties of 5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one?
5-chloro-1-(2-chloro-6-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-(2-chloro-6-fluorophenyl)pentan-2-one is sourced from PubChem (CID 66044445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).