5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one

C13H15F3O2 — CID 83921023

IUPAC5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one
SMILESCOc1ccc(C(F)(F)F)cc1CCCC(C)=O
InChIInChI=1S/C13H15F3O2/c1-9(17)4-3-5-10-8-11(13(14,15)16)6-7-12(10)18-2/h6-8H,3-5H2,1-2H3
InChIKeyAMDASGMKXWERIO-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.63
Rot. Bonds5

About 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one

5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one (PubChem CID 83921023) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one.

Molecular Properties

Compound Name5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one
PubChem CID83921023
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one
SMILESCOc1ccc(C(F)(F)F)cc1CCCC(C)=O
InChIInChI=1S/C13H15F3O2/c1-9(17)4-3-5-10-8-11(13(14,15)16)6-7-12(10)18-2/h6-8H,3-5H2,1-2H3
InChIKeyAMDASGMKXWERIO-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-methoxy-4-(trifluoromethyl)phenyl]pentan-2-one
CID 83921366
4-[2-methoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 82262809
3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 84704416
5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
CID 83921024
3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl thiocyanate
CID 112717086
4-[2-methoxy-4-(trifluoromethyl)phenyl]butanethioamide
CID 83921419
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
5-[2-methoxy-4-(trifluoromethyl)phenyl]hexan-2-one
CID 83921367
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-one
CID 83937456
5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one
CID 142193890

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one?
The IUPAC name of 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one (CID 83921023) is 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one.
What is the SMILES notation for 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one?
The canonical SMILES for 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one is COc1ccc(C(F)(F)F)cc1CCCC(C)=O.
What is the InChIKey of 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one?
The InChIKey is AMDASGMKXWERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-9(17)4-3-5-10-8-11(13(14,15)16)6-7-12(10)18-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one?
5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one has a molecular weight of 260.25 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one is sourced from PubChem (CID 83921023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).