1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C15H17F3O2 — CID 103146833

IUPAC1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H17F3O2/c16-15(17,18)10-20-9-8-14(19)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,11H,1-3,8-10H2
InChIKeyKFMXZURUSYKKMG-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103146833) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103146833
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H17F3O2/c16-15(17,18)10-20-9-8-14(19)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,11H,1-3,8-10H2
InChIKeyKFMXZURUSYKKMG-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206467
1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43793495
1-(4-aminophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103213042
1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146834
1-(4-cyclohexylphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 3753475
(4-cyclohexylphenyl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 60587478
4-chloro-1-(4-cyclobutylphenyl)butan-1-one
CID 116505632
1-(4-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55096171
1-(4-cyclobutylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023554
4-(4-cyclohexylphenyl)-4-oxobutanal
CID 175457718
1-(4-methoxy-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206599
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
CID 116553849

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103146833) is 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one is O=C(CCOCC(F)(F)F)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is KFMXZURUSYKKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c16-15(17,18)10-20-9-8-14(19)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,11H,1-3,8-10H2.
What are the key properties of 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 286.29 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103146833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).