1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one

C15H11Cl2FO2 — CID 107890837

IUPAC1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
SMILESO=C(COc1ccc(Cl)cc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11Cl2FO2/c16-11-2-4-13(5-3-11)20-9-12(19)7-10-1-6-14(17)15(18)8-10/h1-6,8H,7,9H2
InChIKeyHWQHWQIWCQAHJS-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one

1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one (PubChem CID 107890837) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
PubChem CID107890837
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
SMILESO=C(COc1ccc(Cl)cc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11Cl2FO2/c16-11-2-4-13(5-3-11)20-9-12(19)7-10-1-6-14(17)15(18)8-10/h1-6,8H,7,9H2
InChIKeyHWQHWQIWCQAHJS-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 103042817
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 105083862
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one
CID 107883883
1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62033460
1-(4-chloro-3-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 107884171
1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one
CID 105128853
1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62034523
1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 107890911
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-one
CID 107883978
1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 83234141
2-(4-chlorophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]phenyl]acetamide
CID 157084020

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one (CID 107890837) is 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one is O=C(COc1ccc(Cl)cc1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one?
The InChIKey is HWQHWQIWCQAHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-11-2-4-13(5-3-11)20-9-12(19)7-10-1-6-14(17)15(18)8-10/h1-6,8H,7,9H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one?
1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one has a molecular weight of 313.16 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one is sourced from PubChem (CID 107890837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).