2-(dibutylamino)ethyl 2,2,2-trifluoroacetate

C12H22F3NO2 — CID 59204033

IUPAC2-(dibutylamino)ethyl 2,2,2-trifluoroacetate
SMILESCCCCN(CCCC)CCOC(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-3-5-7-16(8-6-4-2)9-10-18-11(17)12(13,14)15/h3-10H2,1-2H3
InChIKeyKGHYTBGGWPBNID-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.99
Rot. Bonds9

About 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate

2-(dibutylamino)ethyl 2,2,2-trifluoroacetate (PubChem CID 59204033) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(dibutylamino)ethyl 2,2,2-trifluoroacetate
PubChem CID59204033
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-(dibutylamino)ethyl 2,2,2-trifluoroacetate
SMILESCCCCN(CCCC)CCOC(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-3-5-7-16(8-6-4-2)9-10-18-11(17)12(13,14)15/h3-10H2,1-2H3
InChIKeyKGHYTBGGWPBNID-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, N,N-dibutyl-, ethyl ester
CID 17537
Methanamine, bis(2-trifluoroacetoxyethyl)-
CID 603532
N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
Ammonium, dimethyl(2-hydroxyethyl)propyl-, iodide, acetate
CID 35632
Fluoromethyl-dimethyl-(2-propanoyloxyethyl)azanium
CID 170721364
Ethanamine, N,N-bis(2-trifluoroacetoxyethyl)-
CID 607729
2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
2-(Diethylamino)ethyl 2,2,2-trifluoroacetate
CID 59204074
(Ethylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91738534
2a{[2a(Acetyloxy)a3-(perfluoroalkyl)propyl]dimethylazaniumyl}acetate
CID 165368046
Ethyl 2-[butyl(methyl)amino]acetate
CID 28878706
Butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium
CID 91805186

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate (CID 59204033) is 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate is CCCCN(CCCC)CCOC(=O)C(F)(F)F.
What is the InChIKey of 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate?
The InChIKey is KGHYTBGGWPBNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-3-5-7-16(8-6-4-2)9-10-18-11(17)12(13,14)15/h3-10H2,1-2H3.
What are the key properties of 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate?
2-(dibutylamino)ethyl 2,2,2-trifluoroacetate has a molecular weight of 269.31 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 59204033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).