1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone

C15H11ClF2O2 — CID 103046643

IUPAC1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClF2O2/c1-9(19)13-7-12(17)3-5-15(13)20-8-10-6-11(16)2-4-14(10)18/h2-7H,8H2,1H3
InChIKeyJGKXFVGLJQNFJC-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.40
Rot. Bonds4

About 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone

1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone (PubChem CID 103046643) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
PubChem CID103046643
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClF2O2/c1-9(19)13-7-12(17)3-5-15(13)20-8-10-6-11(16)2-4-14(10)18/h2-7H,8H2,1H3
InChIKeyJGKXFVGLJQNFJC-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone
CID 103046263
1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 107306486
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 114849679
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
[2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
CID 103047110
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
CID 46779766
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone (CID 103046643) is 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone?
The InChIKey is JGKXFVGLJQNFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c1-9(19)13-7-12(17)3-5-15(13)20-8-10-6-11(16)2-4-14(10)18/h2-7H,8H2,1H3.
What are the key properties of 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone?
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone has a molecular weight of 296.70 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone is sourced from PubChem (CID 103046643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).