N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine

C9H11F10NO — CID 21353532

IUPACN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine
SMILESCCOC(F)(F)C(F)(F)N(C(F)(F)CF)C(F)(F)CCF
InChIInChI=1S/C9H11F10NO/c1-2-21-9(18,19)8(16,17)20(7(14,15)5-11)6(12,13)3-4-10/h2-5H2,1H3
InChIKeyCQATUDXAODVHGR-UHFFFAOYSA-N
MW339.17 g/mol
LogP4.03
Rot. Bonds9

About N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine

N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine (PubChem CID 21353532) has the molecular formula C9H11F10NO and a molecular weight of 339.17 g/mol. Its IUPAC name is N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine
PubChem CID21353532
Molecular FormulaC9H11F10NO
Molecular Weight339.17 g/mol
Exact Mass339.07
IUPAC NameN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine
SMILESCCOC(F)(F)C(F)(F)N(C(F)(F)CF)C(F)(F)CCF
InChIInChI=1S/C9H11F10NO/c1-2-21-9(18,19)8(16,17)20(7(14,15)5-11)6(12,13)3-4-10/h2-5H2,1H3
InChIKeyCQATUDXAODVHGR-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 54.03
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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Related Compounds

N,N-diethyl-1,1,2-trifluoro-2-heptafluoropropoxy-ethanamine
CID 100977954
N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine
CID 18725581
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine
CID 18725582
(2-Ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium
CID 20576769
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine
CID 20725498
N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine
CID 23550518
1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine
CID 91212069
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride
CID 91412214
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 117973097
N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine
CID 118029375
N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
CID 124159473
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,2,2,3-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)propan-1-amine
CID 140460435

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine (CID 21353532) is N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine is CCOC(F)(F)C(F)(F)N(C(F)(F)CF)C(F)(F)CCF.
What is the InChIKey of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine?
The InChIKey is CQATUDXAODVHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F10NO/c1-2-21-9(18,19)8(16,17)20(7(14,15)5-11)6(12,13)3-4-10/h2-5H2,1H3.
What are the key properties of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine?
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine has a molecular weight of 339.17 g/mol, XLogP of 4.03, 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)-1,1,3-trifluoro-N-(1,1,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 21353532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).