1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one

C16H13F3O2 — CID 60624061

IUPAC1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
SMILESCC(Oc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H13F3O2/c1-11(15(20)12-5-3-2-4-6-12)21-14-9-7-13(8-10-14)16(17,18)19/h2-11H,1H3
InChIKeyWCNCAFHPQIRGLU-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.36
Rot. Bonds4

About 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one

1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one (PubChem CID 60624061) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one.

Molecular Properties

Compound Name1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
PubChem CID60624061
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
SMILESCC(Oc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H13F3O2/c1-11(15(20)12-5-3-2-4-6-12)21-14-9-7-13(8-10-14)16(17,18)19/h2-11H,1H3
InChIKeyWCNCAFHPQIRGLU-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43411936
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 158170724
2-methyl-3-[4-(trifluoromethyl)phenoxy]butanoic acid
CID 146593687
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
CID 2571565
2-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]acetonitrile
CID 60623998
1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
CID 13292214
butyl (2R)-2-[4-(trifluoromethyl)phenoxy]propanoate
CID 102301970

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one?
The IUPAC name of 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one (CID 60624061) is 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one.
What is the SMILES notation for 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one?
The canonical SMILES for 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one is CC(Oc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one?
The InChIKey is WCNCAFHPQIRGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-11(15(20)12-5-3-2-4-6-12)21-14-9-7-13(8-10-14)16(17,18)19/h2-11H,1H3.
What are the key properties of 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one?
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one has a molecular weight of 294.27 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one is sourced from PubChem (CID 60624061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).