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

C15H17F3O2 — CID 103146834

IUPAC1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)c1ccccc1C1CCC1
InChIInChI=1S/C15H17F3O2/c16-15(17,18)10-20-9-8-14(19)13-7-2-1-6-12(13)11-4-3-5-11/h1-2,6-7,11H,3-5,8-10H2
InChIKeyBXZLQEKYXPMIAW-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.11
Rot. Bonds6

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

1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103146834) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103146834
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)c1ccccc1C1CCC1
InChIInChI=1S/C15H17F3O2/c16-15(17,18)10-20-9-8-14(19)13-7-2-1-6-12(13)11-4-3-5-11/h1-2,6-7,11H,3-5,8-10H2
InChIKeyBXZLQEKYXPMIAW-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103146834) is 1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one is O=C(CCOCC(F)(F)F)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is BXZLQEKYXPMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c16-15(17,18)10-20-9-8-14(19)13-7-2-1-6-12(13)11-4-3-5-11/h1-2,6-7,11H,3-5,8-10H2.
What are the key properties of 1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(2-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-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103146834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).