1-(2,2,2-trifluoroethylamino)non-8-en-2-one

C11H18F3NO — CID 107010924

IUPAC1-(2,2,2-trifluoroethylamino)non-8-en-2-one
SMILESC=CCCCCCC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-2-3-4-5-6-7-10(16)8-15-9-11(12,13)14/h2,15H,1,3-9H2
InChIKeyIYGIEMQQWSQRFZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.84
Rot. Bonds9

About 1-(2,2,2-trifluoroethylamino)non-8-en-2-one

1-(2,2,2-trifluoroethylamino)non-8-en-2-one (PubChem CID 107010924) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)non-8-en-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)non-8-en-2-one
PubChem CID107010924
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(2,2,2-trifluoroethylamino)non-8-en-2-one
SMILESC=CCCCCCC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-2-3-4-5-6-7-10(16)8-15-9-11(12,13)14/h2,15H,1,3-9H2
InChIKeyIYGIEMQQWSQRFZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)non-8-en-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)non-8-en-2-one (CID 107010924) is 1-(2,2,2-trifluoroethylamino)non-8-en-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)non-8-en-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)non-8-en-2-one is C=CCCCCCC(=O)CNCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)non-8-en-2-one?
The InChIKey is IYGIEMQQWSQRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-3-4-5-6-7-10(16)8-15-9-11(12,13)14/h2,15H,1,3-9H2.
What are the key properties of 1-(2,2,2-trifluoroethylamino)non-8-en-2-one?
1-(2,2,2-trifluoroethylamino)non-8-en-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)non-8-en-2-one is sourced from PubChem (CID 107010924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).