1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one

C10H15F3O2 — CID 103146808

IUPAC1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one
SMILESO=C(CCOCC(F)(F)F)CC1CCC1
InChIInChI=1S/C10H15F3O2/c11-10(12,13)7-15-5-4-9(14)6-8-2-1-3-8/h8H,1-7H2
InChIKeyFGVVYVMIZPXABT-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.71
Rot. Bonds6

About 1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one

1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one (PubChem CID 103146808) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one
PubChem CID103146808
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one
SMILESO=C(CCOCC(F)(F)F)CC1CCC1
InChIInChI=1S/C10H15F3O2/c11-10(12,13)7-15-5-4-9(14)6-8-2-1-3-8/h8H,1-7H2
InChIKeyFGVVYVMIZPXABT-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.71
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-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one?
The IUPAC name of 1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one (CID 103146808) is 1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one.
What is the SMILES notation for 1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one?
The canonical SMILES for 1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one is O=C(CCOCC(F)(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one?
The InChIKey is FGVVYVMIZPXABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c11-10(12,13)7-15-5-4-9(14)6-8-2-1-3-8/h8H,1-7H2.
What are the key properties of 1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one?
1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one has a molecular weight of 224.22 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one is sourced from PubChem (CID 103146808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).