2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane

C17H32F3NO — CID 142227863

IUPAC2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane
SMILESCC.CC.CCC(=O)C(N)CC1CCC2(CC1)C(F)C2(F)F
InChIInChI=1S/C13H20F3NO.2C2H6/c1-2-10(18)9(17)7-8-3-5-12(6-4-8)11(14)13(12,15)16;2*1-2/h8-9,11H,2-7,17H2,1H3;2*1-2H3
InChIKeyJGDLWWWNKJTEHP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.90
Rot. Bonds4

About 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane

2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane (PubChem CID 142227863) has the molecular formula C17H32F3NO and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane.

Molecular Properties

Compound Name2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane
PubChem CID142227863
Molecular FormulaC17H32F3NO
Molecular Weight323.44 g/mol
Exact Mass323.24
IUPAC Name2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane
SMILESCC.CC.CCC(=O)C(N)CC1CCC2(CC1)C(F)C2(F)F
InChIInChI=1S/C13H20F3NO.2C2H6/c1-2-10(18)9(17)7-8-3-5-12(6-4-8)11(14)13(12,15)16;2*1-2/h8-9,11H,2-7,17H2,1H3;2*1-2H3
InChIKeyJGDLWWWNKJTEHP-UHFFFAOYSA-N
XLogP4.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane?
The IUPAC name of 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane (CID 142227863) is 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane.
What is the SMILES notation for 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane?
The canonical SMILES for 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane is CC.CC.CCC(=O)C(N)CC1CCC2(CC1)C(F)C2(F)F.
What is the InChIKey of 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane?
The InChIKey is JGDLWWWNKJTEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO.2C2H6/c1-2-10(18)9(17)7-8-3-5-12(6-4-8)11(14)13(12,15)16;2*1-2/h8-9,11H,2-7,17H2,1H3;2*1-2H3.
What are the key properties of 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane?
2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane has a molecular weight of 323.44 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane is sourced from PubChem (CID 142227863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).