2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate

C17H22F13NO4 — CID 175685726

IUPAC2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate
SMILESCCCOCCOCCOC(=O)C(N)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H22F13NO4/c1-2-5-33-6-7-34-8-9-35-11(32)10(31)3-4-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h10H,2-9,31H2,1H3
InChIKeyQEUDXYQRHICBMV-UHFFFAOYSA-N
MW551.34 g/mol
LogP4.82
Rot. Bonds16

About 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate

2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate (PubChem CID 175685726) has the molecular formula C17H22F13NO4 and a molecular weight of 551.34 g/mol. Its IUPAC name is 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate.

Molecular Properties

Compound Name2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate
PubChem CID175685726
Molecular FormulaC17H22F13NO4
Molecular Weight551.34 g/mol
Exact Mass551.13
IUPAC Name2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate
SMILESCCCOCCOCCOC(=O)C(N)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H22F13NO4/c1-2-5-33-6-7-34-8-9-35-11(32)10(31)3-4-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h10H,2-9,31H2,1H3
InChIKeyQEUDXYQRHICBMV-UHFFFAOYSA-N
XLogP4.82
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate with MolForge

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Related Compounds

2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-aminobutanedioate
CID 86219112
3,3,4,4,5,5,6,6,6-nonafluorohexyl propyl carbonate
CID 99769637
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylpropanoate
CID 88853269
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 163325065
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylbutanoate
CID 20727687
ethyl (2S)-2-amino-5,5,5-trifluoropentanoate;hydrochloride
CID 154727174
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl N-ethylcarbamate
CID 173413650
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl acetate
CID 121274321
2-propoxyethyl 2-amino-3,3-dimethylbutanoate
CID 63687085

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate?
The IUPAC name of 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate (CID 175685726) is 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate.
What is the SMILES notation for 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate?
The canonical SMILES for 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate is CCCOCCOCCOC(=O)C(N)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate?
The InChIKey is QEUDXYQRHICBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F13NO4/c1-2-5-33-6-7-34-8-9-35-11(32)10(31)3-4-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h10H,2-9,31H2,1H3.
What are the key properties of 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate?
2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate has a molecular weight of 551.34 g/mol, XLogP of 4.82, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethoxy)ethyl 2-amino-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoate is sourced from PubChem (CID 175685726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).