(2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium

C9H10F12NO+ — CID 20576769

IUPAC(2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium
SMILESCCOC(F)(F)C(F)(F)[N+](F)(C(F)C(F)(F)CF)C(F)(F)CF
InChIInChI=1S/C9H10F12NO/c1-2-23-9(19,20)8(17,18)22(21,7(15,16)4-11)5(12)6(13,14)3-10/h5H,2-4H2,1H3/q+1
InChIKeyONKBPPQEWKXFDN-UHFFFAOYSA-N
MW376.16 g/mol
LogP4.37
Rot. Bonds9

About (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium

(2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium (PubChem CID 20576769) has the molecular formula C9H10F12NO+ and a molecular weight of 376.16 g/mol. Its IUPAC name is (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium.

Molecular Properties

Compound Name(2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium
PubChem CID20576769
Molecular FormulaC9H10F12NO+
Molecular Weight376.16 g/mol
Exact Mass376.06
IUPAC Name(2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium
SMILESCCOC(F)(F)C(F)(F)[N+](F)(C(F)C(F)(F)CF)C(F)(F)CF
InChIInChI=1S/C9H10F12NO/c1-2-23-9(19,20)8(17,18)22(21,7(15,16)4-11)5(12)6(13,14)3-10/h5H,2-4H2,1H3/q+1
InChIKeyONKBPPQEWKXFDN-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium?
The IUPAC name of (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium (CID 20576769) is (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium.
What is the SMILES notation for (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium?
The canonical SMILES for (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium is CCOC(F)(F)C(F)(F)[N+](F)(C(F)C(F)(F)CF)C(F)(F)CF.
What is the InChIKey of (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium?
The InChIKey is ONKBPPQEWKXFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F12NO/c1-2-23-9(19,20)8(17,18)22(21,7(15,16)4-11)5(12)6(13,14)3-10/h5H,2-4H2,1H3/q+1.
What are the key properties of (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium?
(2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium has a molecular weight of 376.16 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium is sourced from PubChem (CID 20576769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).