1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone

C15H8F6O2 — CID 19967847

IUPAC1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OC(F)c2cc(F)c(F)c(F)c2F)c(F)c1
InChIInChI=1S/C15H8F6O2/c1-6(22)7-2-3-11(9(16)4-7)23-15(21)8-5-10(17)13(19)14(20)12(8)18/h2-5,15H,1H3
InChIKeyLOCYIJWEJMIIOJ-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.63
Rot. Bonds4

About 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone

1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone (PubChem CID 19967847) has the molecular formula C15H8F6O2 and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone
PubChem CID19967847
Molecular FormulaC15H8F6O2
Molecular Weight334.22 g/mol
Exact Mass334.04
IUPAC Name1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OC(F)c2cc(F)c(F)c(F)c2F)c(F)c1
InChIInChI=1S/C15H8F6O2/c1-6(22)7-2-3-11(9(16)4-7)23-15(21)8-5-10(17)13(19)14(20)12(8)18/h2-5,15H,1H3
InChIKeyLOCYIJWEJMIIOJ-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]-3-methylphenyl]ethanone
CID 19967840
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
1-(3-fluoro-4-pentan-2-yloxyphenyl)ethanone
CID 21105303
1-[3-fluoro-4-(4-methoxybutan-2-yloxy)phenyl]ethanone
CID 115687961
1-[4-(1-ethoxypropan-2-yloxy)-3-fluorophenyl]ethanone
CID 103488725
2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide
CID 112699627
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide
CID 115679511
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
CID 63647834

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone (CID 19967847) is 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OC(F)c2cc(F)c(F)c(F)c2F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is LOCYIJWEJMIIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6O2/c1-6(22)7-2-3-11(9(16)4-7)23-15(21)8-5-10(17)13(19)14(20)12(8)18/h2-5,15H,1H3.
What are the key properties of 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone?
1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone has a molecular weight of 334.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 19967847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).