8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one

C13H24F3NO — CID 116577976

IUPAC8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one
SMILESCC(C)C(CCN)CCC(=O)CCCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(2)11(7-9-17)5-6-12(18)4-3-8-13(14,15)16/h10-11H,3-9,17H2,1-2H3
InChIKeyARJKCXYELHHRQJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.69
Rot. Bonds9

About 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one

8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one (PubChem CID 116577976) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one.

Molecular Properties

Compound Name8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one
PubChem CID116577976
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one
SMILESCC(C)C(CCN)CCC(=O)CCCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(2)11(7-9-17)5-6-12(18)4-3-8-13(14,15)16/h10-11H,3-9,17H2,1-2H3
InChIKeyARJKCXYELHHRQJ-UHFFFAOYSA-N
XLogP3.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one?
The IUPAC name of 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one (CID 116577976) is 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one.
What is the SMILES notation for 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one?
The canonical SMILES for 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one is CC(C)C(CCN)CCC(=O)CCCC(F)(F)F.
What is the InChIKey of 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one?
The InChIKey is ARJKCXYELHHRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(2)11(7-9-17)5-6-12(18)4-3-8-13(14,15)16/h10-11H,3-9,17H2,1-2H3.
What are the key properties of 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one?
8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one has a molecular weight of 267.33 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one is sourced from PubChem (CID 116577976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).