2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone

C14H9Cl2FO2 — CID 116689480

IUPAC2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
SMILESO=C(COc1cccc(Cl)c1F)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2FO2/c15-10-4-1-3-9(7-10)12(18)8-19-13-6-2-5-11(16)14(13)17/h1-7H,8H2
InChIKeyJPVBOKYRKZYLDQ-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.39
Rot. Bonds4

About 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone

2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone (PubChem CID 116689480) has the molecular formula C14H9Cl2FO2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
PubChem CID116689480
Molecular FormulaC14H9Cl2FO2
Molecular Weight299.13 g/mol
Exact Mass298.00
IUPAC Name2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
SMILESO=C(COc1cccc(Cl)c1F)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2FO2/c15-10-4-1-3-9(7-10)12(18)8-19-13-6-2-5-11(16)14(13)17/h1-7H,8H2
InChIKeyJPVBOKYRKZYLDQ-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile
CID 103793495
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925
2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone
CID 103764433
4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952755
3-[2-(3-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760387
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
1-(2,5-dichlorophenyl)-2-(2-fluorophenoxy)ethanone
CID 43412967
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
1-(3-chlorophenyl)-2-prop-2-enoxyethanone
CID 62030238
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone (CID 116689480) is 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone is O=C(COc1cccc(Cl)c1F)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone?
The InChIKey is JPVBOKYRKZYLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO2/c15-10-4-1-3-9(7-10)12(18)8-19-13-6-2-5-11(16)14(13)17/h1-7H,8H2.
What are the key properties of 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone?
2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone has a molecular weight of 299.13 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 116689480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).