1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone

C15H12F2O2 — CID 112689439

IUPAC1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H12F2O2/c1-10(18)12-4-7-15(14(17)8-12)19-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3
InChIKeyHNSIVMJWJFVDBZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.75
Rot. Bonds4

About 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone

1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone (PubChem CID 112689439) has the molecular formula C15H12F2O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
PubChem CID112689439
Molecular FormulaC15H12F2O2
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H12F2O2/c1-10(18)12-4-7-15(14(17)8-12)19-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3
InChIKeyHNSIVMJWJFVDBZ-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-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
CID 2737280
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
CID 159779846
1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone
CID 112703041
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone
CID 113237188
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
3-bromo-4-[(4-fluorophenyl)methoxy]benzoate
CID 8706894

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone (CID 112689439) is 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is HNSIVMJWJFVDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-10(18)12-4-7-15(14(17)8-12)19-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3.
What are the key properties of 1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone?
1-[3-fluoro-4-[(4-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-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 112689439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).