5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one

C11H20F3NO — CID 79060835

IUPAC5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one
SMILESCCC(CC)(C(=O)CCC(F)(F)F)N(C)C
InChIInChI=1S/C11H20F3NO/c1-5-10(6-2,15(3)4)9(16)7-8-11(12,13)14/h5-8H2,1-4H3
InChIKeyIHKNKCAURVWYBQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.02
Rot. Bonds6

About 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one

5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one (PubChem CID 79060835) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one.

Molecular Properties

Compound Name5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one
PubChem CID79060835
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one
SMILESCCC(CC)(C(=O)CCC(F)(F)F)N(C)C
InChIInChI=1S/C11H20F3NO/c1-5-10(6-2,15(3)4)9(16)7-8-11(12,13)14/h5-8H2,1-4H3
InChIKeyIHKNKCAURVWYBQ-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one?
The IUPAC name of 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one (CID 79060835) is 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one.
What is the SMILES notation for 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one?
The canonical SMILES for 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one is CCC(CC)(C(=O)CCC(F)(F)F)N(C)C.
What is the InChIKey of 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one?
The InChIKey is IHKNKCAURVWYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-5-10(6-2,15(3)4)9(16)7-8-11(12,13)14/h5-8H2,1-4H3.
What are the key properties of 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one?
5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one has a molecular weight of 239.28 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-one is sourced from PubChem (CID 79060835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).