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

C14H17F3O2 — CID 83921024

IUPAC5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
SMILESCOc1ccc(C(F)(F)F)cc1C(C)CCC(C)=O
InChIInChI=1S/C14H17F3O2/c1-9(4-5-10(2)18)12-8-11(14(15,16)17)6-7-13(12)19-3/h6-9H,4-5H2,1-3H3
InChIKeyFNCRODDWELDWBE-UHFFFAOYSA-N
MW274.28 g/mol
LogP4.19
Rot. Bonds5

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

5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one (PubChem CID 83921024) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one.

Molecular Properties

Compound Name5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
PubChem CID83921024
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
SMILESCOc1ccc(C(F)(F)F)cc1C(C)CCC(C)=O
InChIInChI=1S/C14H17F3O2/c1-9(4-5-10(2)18)12-8-11(14(15,16)17)6-7-13(12)19-3/h6-9H,4-5H2,1-3H3
InChIKeyFNCRODDWELDWBE-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-methoxy-4-(trifluoromethyl)phenyl]hexan-2-one
CID 83921367
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 83921087
5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
CID 116940675
5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one
CID 83921023
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
5-[2-methoxy-4-(trifluoromethyl)phenyl]pentan-2-one
CID 83921366
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831338
2-(4-bromo-3-methylbutan-2-yl)-1-methoxy-4-(trifluoromethyl)benzene
CID 83921031
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
CID 83921064
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one?
The IUPAC name of 5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one (CID 83921024) is 5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one.
What is the SMILES notation for 5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one?
The canonical SMILES for 5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one is COc1ccc(C(F)(F)F)cc1C(C)CCC(C)=O.
What is the InChIKey of 5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one?
The InChIKey is FNCRODDWELDWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-9(4-5-10(2)18)12-8-11(14(15,16)17)6-7-13(12)19-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one?
5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one has a molecular weight of 274.28 g/mol, XLogP of 4.19, 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]hexan-2-one is sourced from PubChem (CID 83921024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).