N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine

C9H11F10NO — CID 18725582

IUPACN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine
SMILESCCOC(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)CCCF
InChIInChI=1S/C9H11F10NO/c1-2-21-8(15,16)7(13,14)20(9(17,18)19)6(11,12)4-3-5-10/h2-5H2,1H3
InChIKeyJSOFBURSXHLLGQ-UHFFFAOYSA-N
MW339.17 g/mol
LogP4.37
Rot. Bonds8

About N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine

N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine (PubChem CID 18725582) 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)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine
PubChem CID18725582
Molecular FormulaC9H11F10NO
Molecular Weight339.17 g/mol
Exact Mass339.07
IUPAC NameN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine
SMILESCCOC(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)CCCF
InChIInChI=1S/C9H11F10NO/c1-2-21-8(15,16)7(13,14)20(9(17,18)19)6(11,12)4-3-5-10/h2-5H2,1H3
InChIKeyJSOFBURSXHLLGQ-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 54.37
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'}

Analyze N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine?
The IUPAC name of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine (CID 18725582) is N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine.
What is the SMILES notation for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine?
The canonical SMILES for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine is CCOC(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)CCCF.
What is the InChIKey of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine?
The InChIKey is JSOFBURSXHLLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F10NO/c1-2-21-8(15,16)7(13,14)20(9(17,18)19)6(11,12)4-3-5-10/h2-5H2,1H3.
What are the key properties of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine?
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine has a molecular weight of 339.17 g/mol, XLogP of 4.37, 8 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)-1,1,4-trifluoro-N-(trifluoromethyl)butan-1-amine is sourced from PubChem (CID 18725582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).