2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one

C18H32F3NO — CID 130278913

IUPAC2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one
SMILESCCCCCCC(CCCCC)C(=O)C1(NCC(F)(F)F)CC1
InChIInChI=1S/C18H32F3NO/c1-3-5-7-9-11-15(10-8-6-4-2)16(23)17(12-13-17)22-14-18(19,20)21/h15,22H,3-14H2,1-2H3
InChIKeyGIOJYWJGSCGLJR-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.41
Rot. Bonds13

About 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one

2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one (PubChem CID 130278913) has the molecular formula C18H32F3NO and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one.

Molecular Properties

Compound Name2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one
PubChem CID130278913
Molecular FormulaC18H32F3NO
Molecular Weight335.45 g/mol
Exact Mass335.24
IUPAC Name2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one
SMILESCCCCCCC(CCCCC)C(=O)C1(NCC(F)(F)F)CC1
InChIInChI=1S/C18H32F3NO/c1-3-5-7-9-11-15(10-8-6-4-2)16(23)17(12-13-17)22-14-18(19,20)21/h15,22H,3-14H2,1-2H3
InChIKeyGIOJYWJGSCGLJR-UHFFFAOYSA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Tert-butylamino)-4,4-dimethyl-1-(1,2,2-trifluoro-1-methylspiro[2.5]octan-6-yl)pentan-3-one
CID 21306393
2-(Tert-butylamino)-4,4-dimethyl-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one
CID 22973027
1-[1-(Ethylamino)-4,4-difluorocyclohexyl]propan-1-one
CID 68345381
2-(Ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one
CID 89317351
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-pentylnonan-1-one
CID 130436568
2-Ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one
CID 130457348
2-(2,2-Difluoropropylamino)-4-heptylundecan-3-one
CID 155068634
2-(Tert-butylamino)-4,4-dimethyl-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one;methane
CID 158651896
(2S)-1-(4,4-difluorocyclohexyl)-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 171576046
2-Ethyl-4-propyl-2-(2,2,2-trifluoroethylamino)decanamide
CID 175047928
2-(3,3-Difluorocyclohexyl)-1-(2-ethylpyrrolidin-2-yl)ethanone
CID 114225604
2-(3,3-Difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 114225608

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one?
The IUPAC name of 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one (CID 130278913) is 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one.
What is the SMILES notation for 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one?
The canonical SMILES for 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one is CCCCCCC(CCCCC)C(=O)C1(NCC(F)(F)F)CC1.
What is the InChIKey of 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one?
The InChIKey is GIOJYWJGSCGLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3NO/c1-3-5-7-9-11-15(10-8-6-4-2)16(23)17(12-13-17)22-14-18(19,20)21/h15,22H,3-14H2,1-2H3.
What are the key properties of 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one?
2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one has a molecular weight of 335.45 g/mol, XLogP of 5.41, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one is sourced from PubChem (CID 130278913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).