1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone

C16H14F2O3 — CID 62400880

IUPAC1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOc1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2O3/c1-11(19)15-4-2-3-5-16(15)21-7-6-20-14-9-12(17)8-13(18)10-14/h2-5,8-10H,6-7H2,1H3
InChIKeyXWDJLUGVXOGOCL-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.63
Rot. Bonds6

About 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone

1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone (PubChem CID 62400880) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone
PubChem CID62400880
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOc1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2O3/c1-11(19)15-4-2-3-5-16(15)21-7-6-20-14-9-12(17)8-13(18)10-14/h2-5,8-10H,6-7H2,1H3
InChIKeyXWDJLUGVXOGOCL-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid
CID 62785009
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767
1-[2-[2-(4-fluorophenyl)sulfinylethoxy]phenyl]ethanone
CID 64636485
1-[2-[2-(4-bromophenoxy)ethoxy]-5-fluorophenyl]ethanone
CID 78906384
1-[2-[2-(3-bromophenoxy)ethoxy]-4-fluorophenyl]ethanone
CID 63069027
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987
1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone
CID 63565850
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]ethanone
CID 60628001

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone (CID 62400880) is 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCOc1cc(F)cc(F)c1.
What is the InChIKey of 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone?
The InChIKey is XWDJLUGVXOGOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-11(19)15-4-2-3-5-16(15)21-7-6-20-14-9-12(17)8-13(18)10-14/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone?
1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone has a molecular weight of 292.28 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone is sourced from PubChem (CID 62400880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).