ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate

C14H24F3NO3 — CID 162407666

IUPACethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate
SMILESCCOC(=O)CCCC(CC)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-3-11(7-5-9-12(19)21-4-2)8-6-10-18-13(20)14(15,16)17/h11H,3-10H2,1-2H3,(H,18,20)
InChIKeyYXPVPCFXMPXYRN-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.20
Rot. Bonds10

About ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate

ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate (PubChem CID 162407666) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate.

Molecular Properties

Compound Nameethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate
PubChem CID162407666
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Nameethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate
SMILESCCOC(=O)CCCC(CC)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-3-11(7-5-9-12(19)21-4-2)8-6-10-18-13(20)14(15,16)17/h11H,3-10H2,1-2H3,(H,18,20)
InChIKeyYXPVPCFXMPXYRN-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate 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

Methyl 2,4,4-trimethyl-7-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 132600122
Methyl 2-methyl-3-[1-[3-[(2,2,2-trifluoroacetyl)amino]propyl]cyclopentyl]propanoate
CID 134849546
Ethyl 4,4-dimethyl-7-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 134861886
methyl (3S)-5-methyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]hexanoate
CID 162406055
Ethyl 5-methyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate
CID 162408954
Ethyl 5-[3-[(2,2,2-trifluoroacetyl)amino]propyl]nonanoate
CID 162408955
8-O-tert-butyl 1-O-methyl (3S)-5,5-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]octanedioate
CID 162409356
ethyl 4-[(1S,2S)-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexyl]butanoate
CID 178327153
Butyl 6-(2,2,2-trifluoroacetamido)hexanoate
CID 71381758
Methyl trans-4-[(2,2,3,3,4,4,4-heptafluorobutanamido)methyl]cyclohexanecarboxylate
CID 91697682
Methyl trans-4-[(2,2,2-trifluoroacetamido)methyl]cyclohexanecarboxylate
CID 91697683
l-Leucine, n-pentadecafluorooctanoyl-, heptyl ester
CID 91745735

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate?
The IUPAC name of ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate (CID 162407666) is ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate.
What is the SMILES notation for ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate?
The canonical SMILES for ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate is CCOC(=O)CCCC(CC)CCCNC(=O)C(F)(F)F.
What is the InChIKey of ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate?
The InChIKey is YXPVPCFXMPXYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-3-11(7-5-9-12(19)21-4-2)8-6-10-18-13(20)14(15,16)17/h11H,3-10H2,1-2H3,(H,18,20).
What are the key properties of ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate?
ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate has a molecular weight of 311.34 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate is sourced from PubChem (CID 162407666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).