7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one

C11H20F3NO — CID 116608529

IUPAC7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one
SMILESCC(C)(C)C(N)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(2,3)9(15)7-8(16)5-4-6-11(12,13)14/h9H,4-7,15H2,1-3H3
InChIKeyUMWBOSDOPGQSEN-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.05
Rot. Bonds5

About 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one

7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one (PubChem CID 116608529) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one.

Molecular Properties

Compound Name7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one
PubChem CID116608529
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one
SMILESCC(C)(C)C(N)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(2,3)9(15)7-8(16)5-4-6-11(12,13)14/h9H,4-7,15H2,1-3H3
InChIKeyUMWBOSDOPGQSEN-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one?
The IUPAC name of 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one (CID 116608529) is 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one.
What is the SMILES notation for 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one?
The canonical SMILES for 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one is CC(C)(C)C(N)CC(=O)CCCC(F)(F)F.
What is the InChIKey of 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one?
The InChIKey is UMWBOSDOPGQSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,3)9(15)7-8(16)5-4-6-11(12,13)14/h9H,4-7,15H2,1-3H3.
What are the key properties of 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one?
7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one has a molecular weight of 239.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one is sourced from PubChem (CID 116608529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).