1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone

C15H12F2O2 — CID 91863363

IUPAC1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2F)cc1F
InChIInChI=1S/C15H12F2O2/c1-10(18)13-7-6-12(8-15(13)17)19-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3
InChIKeyMCFJZMXQRZVERD-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.75
Rot. Bonds4

About 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone

1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone (PubChem CID 91863363) has the molecular formula C15H12F2O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
PubChem CID91863363
Molecular FormulaC15H12F2O2
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2F)cc1F
InChIInChI=1S/C15H12F2O2/c1-10(18)13-7-6-12(8-15(13)17)19-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3
InChIKeyMCFJZMXQRZVERD-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374
1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 107719291
4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
(4-acetyl-3-fluorophenoxy)methyl-trifluoroboranuide
CID 107719077
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141305036
5-(4-acetyl-3-fluorophenoxy)pentan-2-one
CID 107717486
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
4-[(4-acetyl-3-fluorophenoxy)methyl]benzonitrile
CID 91863386
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
CID 103907370
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone (CID 91863363) is 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2ccccc2F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is MCFJZMXQRZVERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-10(18)13-7-6-12(8-15(13)17)19-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3.
What are the key properties of 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone?
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone has a molecular weight of 262.26 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 91863363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).