1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C17H14F4O2 — CID 53415618

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C17H14F4O2/c1-23-16-9-5-12(10-14(16)18)15(22)8-4-11-2-6-13(7-3-11)17(19,20)21/h2-3,5-7,9-10H,4,8H2,1H3
InChIKeyFBNPSRWNQZVWLE-UHFFFAOYSA-N
MW326.29 g/mol
LogP4.67
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 53415618) has the molecular formula C17H14F4O2 and a molecular weight of 326.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID53415618
Molecular FormulaC17H14F4O2
Molecular Weight326.29 g/mol
Exact Mass326.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C17H14F4O2/c1-23-16-9-5-12(10-14(16)18)15(22)8-4-11-2-6-13(7-3-11)17(19,20)21/h2-3,5-7,9-10H,4,8H2,1H3
InChIKeyFBNPSRWNQZVWLE-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768290
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 53415502
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726631
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 53415618) is 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is COc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is FBNPSRWNQZVWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4O2/c1-23-16-9-5-12(10-14(16)18)15(22)8-4-11-2-6-13(7-3-11)17(19,20)21/h2-3,5-7,9-10H,4,8H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 326.29 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 53415618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).