2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate

C17H30F5NO2 — CID 59383790

IUPAC2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCN(CCCCCC)CCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H30F5NO2/c1-3-5-7-9-11-23(12-10-8-6-4-2)13-14-25-15(24)16(18,19)17(20,21)22/h3-14H2,1-2H3
InChIKeyHODPRTRAFGPMCZ-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.19
Rot. Bonds14

About 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate

2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 59383790) has the molecular formula C17H30F5NO2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID59383790
Molecular FormulaC17H30F5NO2
Molecular Weight375.42 g/mol
Exact Mass375.22
IUPAC Name2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCN(CCCCCC)CCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H30F5NO2/c1-3-5-7-9-11-23(12-10-8-6-4-2)13-14-25-15(24)16(18,19)17(20,21)22/h3-14H2,1-2H3
InChIKeyHODPRTRAFGPMCZ-UHFFFAOYSA-N
XLogP5.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
(Butylazanediyl)bis(ethane-2,1-diyl) bis(2,2,2-trifluoroacetate)
CID 91717616
(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
6-Morpholin-4-ylhexyl 2,2-difluoropropanoate
CID 58341585
2,2,3,3,3-Pentafluoropropyl 3-(dihexylamino)propanoate
CID 59203976
2,2,3,3,3-Pentafluoropropyl 3-(dipentylamino)propanoate
CID 59203982
2-(Dibutylamino)ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 59203984
2-[Di(nonyl)amino]ethyl 2-fluoroacetate
CID 59204000
2,2,3,3,3-Pentafluoropropyl 3-(diheptylamino)propanoate
CID 59204004
2-(Dibutylamino)ethyl 2,2,2-trifluoroacetate
CID 59204033
2-Piperidin-1-ylethyl 2,2,3,3,3-pentafluoropropanoate
CID 59204077

Frequently Asked Questions

What is the IUPAC name of 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate (CID 59383790) is 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate is CCCCCCN(CCCCCC)CCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is HODPRTRAFGPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F5NO2/c1-3-5-7-9-11-23(12-10-8-6-4-2)13-14-25-15(24)16(18,19)17(20,21)22/h3-14H2,1-2H3.
What are the key properties of 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate?
2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 375.42 g/mol, XLogP of 5.19, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihexylamino)ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 59383790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).