2-(dipropylamino)ethyl 2,2,2-trifluoroacetate

C10H18F3NO2 — CID 59204089

IUPAC2-(dipropylamino)ethyl 2,2,2-trifluoroacetate
SMILESCCCN(CCC)CCOC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-5-14(6-4-2)7-8-16-9(15)10(11,12)13/h3-8H2,1-2H3
InChIKeyVIRKVWXELCMNGX-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.21
Rot. Bonds7

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

2-(dipropylamino)ethyl 2,2,2-trifluoroacetate (PubChem CID 59204089) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(dipropylamino)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(dipropylamino)ethyl 2,2,2-trifluoroacetate
PubChem CID59204089
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-(dipropylamino)ethyl 2,2,2-trifluoroacetate
SMILESCCCN(CCC)CCOC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-5-14(6-4-2)7-8-16-9(15)10(11,12)13/h3-8H2,1-2H3
InChIKeyVIRKVWXELCMNGX-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylamino)ethyl acetate
CID 82591
Acetyldiethylcholine
CID 416923
N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
Ammonium, dimethyl(2-hydroxyethyl)propyl-, iodide, acetate
CID 35632
Ethyl 2-(dipropylamino)acetate
CID 575237
Methanamine, bis(2-trifluoroacetoxyethyl)-
CID 603532
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
Amine, N,N,N-tris(2-trifluoroacetoxyethyl)-
CID 587991

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(dipropylamino)ethyl 2,2,2-trifluoroacetate (CID 59204089) is 2-(dipropylamino)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(dipropylamino)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(dipropylamino)ethyl 2,2,2-trifluoroacetate is CCCN(CCC)CCOC(=O)C(F)(F)F.
What is the InChIKey of 2-(dipropylamino)ethyl 2,2,2-trifluoroacetate?
The InChIKey is VIRKVWXELCMNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-5-14(6-4-2)7-8-16-9(15)10(11,12)13/h3-8H2,1-2H3.
What are the key properties of 2-(dipropylamino)ethyl 2,2,2-trifluoroacetate?
2-(dipropylamino)ethyl 2,2,2-trifluoroacetate has a molecular weight of 241.25 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 59204089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).