3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one

C16H13F3O2 — CID 54202264

IUPAC3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H13F3O2/c1-21-13-9-7-12(8-10-13)15(20)14(16(17,18)19)11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKeyPQBUFCRDKIRXLQ-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.22
Rot. Bonds4

About 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one

3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one (PubChem CID 54202264) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
PubChem CID54202264
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H13F3O2/c1-21-13-9-7-12(8-10-13)15(20)14(16(17,18)19)11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKeyPQBUFCRDKIRXLQ-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
2-isocyano-1-(4-methoxyphenyl)-2-phenylethanone
CID 140853508
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
(2R,3S)-2-bromo-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 102368188
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
CID 10635675
4,4,5,5,5-pentafluoro-1-(4-methoxyphenyl)-2-(trifluoromethyl)pentane-1,3-dione
CID 12656487
(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096
(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 101058066
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one (CID 54202264) is 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one is COc1ccc(C(=O)C(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one?
The InChIKey is PQBUFCRDKIRXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-21-13-9-7-12(8-10-13)15(20)14(16(17,18)19)11-5-3-2-4-6-11/h2-10,14H,1H3.
What are the key properties of 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one?
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one has a molecular weight of 294.27 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one is sourced from PubChem (CID 54202264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).