1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one

C11H19F3O2 — CID 166833994

IUPAC1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one
SMILESCC(C)(C)OC(C(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-9(2,3)7(15)8(11(12,13)14)16-10(4,5)6/h8H,1-6H3
InChIKeyOAXDCEGZZZXLFW-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.35
Rot. Bonds2

About 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one

1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one (PubChem CID 166833994) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one.

Molecular Properties

Compound Name1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one
PubChem CID166833994
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one
SMILESCC(C)(C)OC(C(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-9(2,3)7(15)8(11(12,13)14)16-10(4,5)6/h8H,1-6H3
InChIKeyOAXDCEGZZZXLFW-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one?
The IUPAC name of 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one (CID 166833994) is 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one.
What is the SMILES notation for 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one?
The canonical SMILES for 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one is CC(C)(C)OC(C(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one?
The InChIKey is OAXDCEGZZZXLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-9(2,3)7(15)8(11(12,13)14)16-10(4,5)6/h8H,1-6H3.
What are the key properties of 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one?
1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one has a molecular weight of 240.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one is sourced from PubChem (CID 166833994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).