2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one

C13H22F3NO — CID 130457348

IUPAC2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one
SMILESCCCCC(CC)C(=O)C1(NCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-3-5-6-10(4-2)11(18)12(7-8-12)17-9-13(14,15)16/h10,17H,3-9H2,1-2H3
InChIKeyWXHOQMDGCIHZBJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.46
Rot. Bonds8

About 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one

2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one (PubChem CID 130457348) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one
PubChem CID130457348
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one
SMILESCCCCC(CC)C(=O)C1(NCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-3-5-6-10(4-2)11(18)12(7-8-12)17-9-13(14,15)16/h10,17H,3-9H2,1-2H3
InChIKeyWXHOQMDGCIHZBJ-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one?
The IUPAC name of 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one (CID 130457348) is 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one.
What is the SMILES notation for 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one?
The canonical SMILES for 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one is CCCCC(CC)C(=O)C1(NCC(F)(F)F)CC1.
What is the InChIKey of 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one?
The InChIKey is WXHOQMDGCIHZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-3-5-6-10(4-2)11(18)12(7-8-12)17-9-13(14,15)16/h10,17H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one?
2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one is sourced from PubChem (CID 130457348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).