N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride

C9H11F12NO — CID 91412214

IUPACN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride
SMILESCCOC(F)(F)C(F)(F)N(C(F)C(F)(F)CF)C(F)(F)CF.F
InChIInChI=1S/C9H10F11NO.FH/c1-2-22-9(19,20)8(17,18)21(7(15,16)4-11)5(12)6(13,14)3-10;/h5H,2-4H2,1H3;1H
InChIKeyRGCAJOHJADITNB-UHFFFAOYSA-N
MW377.17 g/mol
LogP4.13
Rot. Bonds9

About N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride

N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride (PubChem CID 91412214) has the molecular formula C9H11F12NO and a molecular weight of 377.17 g/mol. Its IUPAC name is N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride.

Molecular Properties

Compound NameN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride
PubChem CID91412214
Molecular FormulaC9H11F12NO
Molecular Weight377.17 g/mol
Exact Mass377.06
IUPAC NameN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride
SMILESCCOC(F)(F)C(F)(F)N(C(F)C(F)(F)CF)C(F)(F)CF.F
InChIInChI=1S/C9H10F11NO.FH/c1-2-22-9(19,20)8(17,18)21(7(15,16)4-11)5(12)6(13,14)3-10;/h5H,2-4H2,1H3;1H
InChIKeyRGCAJOHJADITNB-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride?
The IUPAC name of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride (CID 91412214) is N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride.
What is the SMILES notation for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride?
The canonical SMILES for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride is CCOC(F)(F)C(F)(F)N(C(F)C(F)(F)CF)C(F)(F)CF.F.
What is the InChIKey of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride?
The InChIKey is RGCAJOHJADITNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F11NO.FH/c1-2-22-9(19,20)8(17,18)21(7(15,16)4-11)5(12)6(13,14)3-10;/h5H,2-4H2,1H3;1H.
What are the key properties of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride?
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride has a molecular weight of 377.17 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride is sourced from PubChem (CID 91412214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).