1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one

C9H16F3NO — CID 116556284

IUPAC1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one
SMILESCCC(C)NCC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-7(2)13-6-8(14)4-5-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyJENKZRDOBBHOST-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.29
Rot. Bonds6

About 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one

1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one (PubChem CID 116556284) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one
PubChem CID116556284
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one
SMILESCCC(C)NCC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-7(2)13-6-8(14)4-5-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyJENKZRDOBBHOST-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one (CID 116556284) is 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one is CCC(C)NCC(=O)CCC(F)(F)F.
What is the InChIKey of 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one?
The InChIKey is JENKZRDOBBHOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-7(2)13-6-8(14)4-5-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one?
1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one has a molecular weight of 211.23 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 116556284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).