2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone

C14H9ClF2O2 — CID 60675294

IUPAC2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
SMILESO=C(COc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H9ClF2O2/c15-12-7-11(4-5-13(12)17)19-8-14(18)9-2-1-3-10(16)6-9/h1-7H,8H2
InChIKeyKBVXFHZWLHQILW-UHFFFAOYSA-N
MW282.67 g/mol
LogP3.88
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone

2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone (PubChem CID 60675294) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
PubChem CID60675294
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
SMILESO=C(COc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H9ClF2O2/c15-12-7-11(4-5-13(12)17)19-8-14(18)9-2-1-3-10(16)6-9/h1-7H,8H2
InChIKeyKBVXFHZWLHQILW-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952755
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 63566889
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone (CID 60675294) is 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone is O=C(COc1ccc(F)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone?
The InChIKey is KBVXFHZWLHQILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c15-12-7-11(4-5-13(12)17)19-8-14(18)9-2-1-3-10(16)6-9/h1-7H,8H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone?
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone has a molecular weight of 282.67 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 60675294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).