4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one

C14H24F3NO — CID 62611706

IUPAC4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCCN(CC1CC(CCC1=O)CC)CC(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-3-7-18(10-14(15,16)17)9-12-8-11(4-2)5-6-13(12)19/h11-12H,3-10H2,1-2H3
InChIKeyPOAZAKGDCUVLHJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.80
Rot. Bonds6

About 4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one

4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62611706) has the molecular formula C14H24F3NO and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
PubChem CID62611706
Molecular FormulaC14H24F3NO
Molecular Weight279.34 g/mol
Exact Mass279.18
IUPAC Name4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCCN(CC1CC(CCC1=O)CC)CC(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-3-7-18(10-14(15,16)17)9-12-8-11(4-2)5-6-13(12)19/h11-12H,3-10H2,1-2H3
InChIKeyPOAZAKGDCUVLHJ-UHFFFAOYSA-N
XLogP3.80
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity291

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Bis((dimethylamino)methyl)cyclohexanone
CID 358900
2,6-Bis-(dimethylaminomethyl)-cyclohexanone dihydrochloride
CID 358899
Methanaminium,3-cyclohexanediyl)bis(methyl)bis [N,N,N-trimethyl-, diiodide
CID 360569
2-[(Diethylamino)methyl]cyclohexanone
CID 415449
2-((Dimethylamino)methyl)-6-methylcyclohexanone
CID 12927832
Trimethyl-[[2-oxo-3-[(trimethylammonio)methyl]cyclohexyl]methyl]ammonium;iodide
CID 360570
cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
CID 853621
1-Methyl-3-(tridecafluorohexyl)piperidin-4-one
CID 21731585
(2RS,5RS)-2-dimethylaminomethyl-5-trifluoromethyl-cyclohexanone
CID 21705850
2-(Dimethylamino)-1-(4-fluorocyclohexyl)ethanone
CID 145817772
(2S)-1-(4,4-difluorocyclohexyl)-4-methyl-2-[propan-2-yl(propyl)amino]pentan-3-one
CID 171576079
Cyclohexanone, 2-dimethylaminomethyl-4-(1,1-dimethylethyl)-
CID 547095

Frequently Asked Questions

What is the IUPAC name of 4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (CID 62611706) is 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is CCCN(CC1CC(CCC1=O)CC)CC(F)(F)F.
What is the InChIKey of 4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is POAZAKGDCUVLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-3-7-18(10-14(15,16)17)9-12-8-11(4-2)5-6-13(12)19/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 279.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62611706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).