9-amino-1,1,1-trifluoro-5-methyldecan-4-one

C11H20F3NO — CID 116574348

IUPAC9-amino-1,1,1-trifluoro-5-methyldecan-4-one
SMILESCC(N)CCCC(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(4-3-5-9(2)15)10(16)6-7-11(12,13)14/h8-9H,3-7,15H2,1-2H3
InChIKeyGNOCQPVRXGBZGC-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.05
Rot. Bonds7

About 9-amino-1,1,1-trifluoro-5-methyldecan-4-one

9-amino-1,1,1-trifluoro-5-methyldecan-4-one (PubChem CID 116574348) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 9-amino-1,1,1-trifluoro-5-methyldecan-4-one.

Molecular Properties

Compound Name9-amino-1,1,1-trifluoro-5-methyldecan-4-one
PubChem CID116574348
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name9-amino-1,1,1-trifluoro-5-methyldecan-4-one
SMILESCC(N)CCCC(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(4-3-5-9(2)15)10(16)6-7-11(12,13)14/h8-9H,3-7,15H2,1-2H3
InChIKeyGNOCQPVRXGBZGC-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-amino-1,1,1-trifluoro-5-methyldecan-4-one?
The IUPAC name of 9-amino-1,1,1-trifluoro-5-methyldecan-4-one (CID 116574348) is 9-amino-1,1,1-trifluoro-5-methyldecan-4-one.
What is the SMILES notation for 9-amino-1,1,1-trifluoro-5-methyldecan-4-one?
The canonical SMILES for 9-amino-1,1,1-trifluoro-5-methyldecan-4-one is CC(N)CCCC(C)C(=O)CCC(F)(F)F.
What is the InChIKey of 9-amino-1,1,1-trifluoro-5-methyldecan-4-one?
The InChIKey is GNOCQPVRXGBZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(4-3-5-9(2)15)10(16)6-7-11(12,13)14/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 9-amino-1,1,1-trifluoro-5-methyldecan-4-one?
9-amino-1,1,1-trifluoro-5-methyldecan-4-one has a molecular weight of 239.28 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1,1,1-trifluoro-5-methyldecan-4-one is sourced from PubChem (CID 116574348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).