2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate

C12H13F10NO4 — CID 91738534

IUPAC2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCN(CCOC(=O)C(F)(F)C(F)(F)F)CCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F10NO4/c1-2-23(3-5-26-7(24)9(13,14)11(17,18)19)4-6-27-8(25)10(15,16)12(20,21)22/h2-6H2,1H3
InChIKeyDPMZFYXVWLEWJQ-UHFFFAOYSA-N
MW425.22 g/mol
LogP2.79
Rot. Bonds9

About 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate

2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91738534) has the molecular formula C12H13F10NO4 and a molecular weight of 425.22 g/mol. Its IUPAC name is 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91738534
Molecular FormulaC12H13F10NO4
Molecular Weight425.22 g/mol
Exact Mass425.07
IUPAC Name2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCN(CCOC(=O)C(F)(F)C(F)(F)F)CCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F10NO4/c1-2-23(3-5-26-7(24)9(13,14)11(17,18)19)4-6-27-8(25)10(15,16)12(20,21)22/h2-6H2,1H3
InChIKeyDPMZFYXVWLEWJQ-UHFFFAOYSA-N
XLogP2.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Fluoromethyl-dimethyl-(2-propanoyloxyethyl)azanium
CID 170721364
[(2-Hydroxyethyl)azanediyl]bis(ethane-2,1-diyl) bis(2,2,2-trifluoroacetate)
CID 91717610
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
Di(2-propan-oyloxyethyl)methylamine
CID 20715426
Amine, N,N,N-tris(2-trifluoroacetoxyethyl)-
CID 587991
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-(2,2,3,3,3-Pentafluoro-N-methylpropanamido)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730501
2-(N-Ethyl-2,2,3,3,3-pentafluoropropanamido)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91733397

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91738534) is 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate is CCN(CCOC(=O)C(F)(F)C(F)(F)F)CCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is DPMZFYXVWLEWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F10NO4/c1-2-23(3-5-26-7(24)9(13,14)11(17,18)19)4-6-27-8(25)10(15,16)12(20,21)22/h2-6H2,1H3.
What are the key properties of 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 425.22 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91738534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).