1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone

C15H10F4O2 — CID 142414912

IUPAC1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H10F4O2/c1-9(20)10-2-7-14(13(16)8-10)21-12-5-3-11(4-6-12)15(17,18)19/h2-8H,1H3
InChIKeyFPEYRWZSJSGGDN-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.84
Rot. Bonds3

About 1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone

1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone (PubChem CID 142414912) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
PubChem CID142414912
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H10F4O2/c1-9(20)10-2-7-14(13(16)8-10)21-12-5-3-11(4-6-12)15(17,18)19/h2-8H,1H3
InChIKeyFPEYRWZSJSGGDN-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
CID 63647834
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]-3,4-dimethylpent-4-en-1-one
CID 162609018
3-fluoro-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenoxy]benzoic acid
CID 146305965
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
methyl 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzoate
CID 142415335
4-[4-(1,1-difluoroethyl)phenoxy]-3-fluoro-N,N-dimethylbenzamide
CID 162134350
3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
CID 146305959
4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 146306005
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721
3-fluoro-4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
CID 158189564

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone (CID 142414912) is 1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone?
The InChIKey is FPEYRWZSJSGGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c1-9(20)10-2-7-14(13(16)8-10)21-12-5-3-11(4-6-12)15(17,18)19/h2-8H,1H3.
What are the key properties of 1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone?
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone has a molecular weight of 298.24 g/mol, XLogP of 4.84, 3 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-(trifluoromethyl)phenoxy]phenyl]ethanone is sourced from PubChem (CID 142414912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).