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

C16H13F3O2 — CID 15893139

IUPAC1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
SMILESCOc1ccc(C(C(=O)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H13F3O2/c1-21-13-9-7-12(8-10-13)14(15(20)16(17,18)19)11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKeySSOOUVPZIQCJLW-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.96
Rot. Bonds4

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

1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one (PubChem CID 15893139) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
PubChem CID15893139
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
SMILESCOc1ccc(C(C(=O)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H13F3O2/c1-21-13-9-7-12(8-10-13)14(15(20)16(17,18)19)11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKeySSOOUVPZIQCJLW-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
anisole;2,2,2-trifluoroacetic acid
CID 66633105
2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide
CID 51950712
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
N-[(4-methoxyphenyl)-phenylmethyl]-2,2-diphenylpropanamide
CID 5198788
(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
(2R)-4,4,4-trifluoro-2-(3-methoxyphenyl)-3-oxobutanenitrile
CID 86318932
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
CID 11638185

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one (CID 15893139) is 1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one is COc1ccc(C(C(=O)C(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one?
The InChIKey is SSOOUVPZIQCJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-21-13-9-7-12(8-10-13)14(15(20)16(17,18)19)11-5-3-2-4-6-11/h2-10,14H,1H3.
What are the key properties of 1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one?
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one has a molecular weight of 294.27 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one is sourced from PubChem (CID 15893139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).