2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate

C14H22F7NO2 — CID 59203984

IUPAC2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
SMILESCCCCN(CCCC)CCOC(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F7NO2/c1-3-5-7-22(8-6-4-2)9-10-24-11(23)12(15,13(16,17)18)14(19,20)21/h3-10H2,1-2H3
InChIKeyGWJKRKOLRFBBLF-UHFFFAOYSA-N
MW369.32 g/mol
LogP4.26
Rot. Bonds10

About 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate

2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate (PubChem CID 59203984) has the molecular formula C14H22F7NO2 and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
PubChem CID59203984
Molecular FormulaC14H22F7NO2
Molecular Weight369.32 g/mol
Exact Mass369.15
IUPAC Name2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
SMILESCCCCN(CCCC)CCOC(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F7NO2/c1-3-5-7-22(8-6-4-2)9-10-24-11(23)12(15,13(16,17)18)14(19,20)21/h3-10H2,1-2H3
InChIKeyGWJKRKOLRFBBLF-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
(Ethylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91738534
2-(Diethylamino)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91698990
(Butylazanediyl)bis(ethane-2,1-diyl) bis(2,2,2-trifluoroacetate)
CID 91717616
2-(N-Ethyl-2,2,3,3,3-pentafluoropropanamido)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91733397
Ethyldiethanolamine bis(heptafluorobutyrate)
CID 91741522
(Butylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,4,4,4-heptafluorobutanoate)
CID 91742671
(Butylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91744928
2-(Dimethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824069
4-Morpholin-4-ylbutyl 2,2-difluoropropanoate
CID 58341555
1-Morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 58855371
2-Morpholinoethyl 2,2-bis(trifluoromethyl)propionate
CID 58855417

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate?
The IUPAC name of 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate (CID 59203984) is 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate.
What is the SMILES notation for 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate?
The canonical SMILES for 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate is CCCCN(CCCC)CCOC(=O)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate?
The InChIKey is GWJKRKOLRFBBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F7NO2/c1-3-5-7-22(8-6-4-2)9-10-24-11(23)12(15,13(16,17)18)14(19,20)21/h3-10H2,1-2H3.
What are the key properties of 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate?
2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate has a molecular weight of 369.32 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 59203984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).