ethyl 6-(5,5,5-trifluoropentylamino)hexanoate

C13H24F3NO2 — CID 115518858

IUPACethyl 6-(5,5,5-trifluoropentylamino)hexanoate
SMILESCCOC(=O)CCCCCNCCCCC(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-2-19-12(18)8-4-3-6-10-17-11-7-5-9-13(14,15)16/h17H,2-11H2,1H3
InChIKeyOFXZHDGLCMPXKJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.43
Rot. Bonds11

About ethyl 6-(5,5,5-trifluoropentylamino)hexanoate

ethyl 6-(5,5,5-trifluoropentylamino)hexanoate (PubChem CID 115518858) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 6-(5,5,5-trifluoropentylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(5,5,5-trifluoropentylamino)hexanoate
PubChem CID115518858
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Nameethyl 6-(5,5,5-trifluoropentylamino)hexanoate
SMILESCCOC(=O)CCCCCNCCCCC(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-2-19-12(18)8-4-3-6-10-17-11-7-5-9-13(14,15)16/h17H,2-11H2,1H3
InChIKeyOFXZHDGLCMPXKJ-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560
ethyl 6-(5-methylsulfanylpentylamino)hexanoate
CID 114127320
diethyl icosanedioate
CID 5058538
ethyl 3-(octylamino)propanoate
CID 46318537
ethyl 4-(4-hydroxybutylamino)butanoate
CID 64580289
ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate
CID 20571657
diethyl hexanedioate
CID 160747628
ethyl 6-(methylamino)hexanoate;hydrochloride
CID 87871170
ethyl 8,8,8-trichlorooctanoate
CID 141267999
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate
CID 83120346
ethyl 6-(trifluoromethylsulfanyl)hexanoate
CID 122376065

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(5,5,5-trifluoropentylamino)hexanoate?
The IUPAC name of ethyl 6-(5,5,5-trifluoropentylamino)hexanoate (CID 115518858) is ethyl 6-(5,5,5-trifluoropentylamino)hexanoate.
What is the SMILES notation for ethyl 6-(5,5,5-trifluoropentylamino)hexanoate?
The canonical SMILES for ethyl 6-(5,5,5-trifluoropentylamino)hexanoate is CCOC(=O)CCCCCNCCCCC(F)(F)F.
What is the InChIKey of ethyl 6-(5,5,5-trifluoropentylamino)hexanoate?
The InChIKey is OFXZHDGLCMPXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-2-19-12(18)8-4-3-6-10-17-11-7-5-9-13(14,15)16/h17H,2-11H2,1H3.
What are the key properties of ethyl 6-(5,5,5-trifluoropentylamino)hexanoate?
ethyl 6-(5,5,5-trifluoropentylamino)hexanoate has a molecular weight of 283.33 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(5,5,5-trifluoropentylamino)hexanoate is sourced from PubChem (CID 115518858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).