3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine

C11H19F6NO — CID 123300960

IUPAC3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine
SMILESCCC(CC)CC(N)OCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-3-7(4-2)5-9(18)19-6-8(10(12,13)14)11(15,16)17/h7-9H,3-6,18H2,1-2H3
InChIKeyZBIRAWZLFIBZSU-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.85
Rot. Bonds7

About 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine

3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine (PubChem CID 123300960) has the molecular formula C11H19F6NO and a molecular weight of 295.27 g/mol. Its IUPAC name is 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine
PubChem CID123300960
Molecular FormulaC11H19F6NO
Molecular Weight295.27 g/mol
Exact Mass295.14
IUPAC Name3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine
SMILESCCC(CC)CC(N)OCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-3-7(4-2)5-9(18)19-6-8(10(12,13)14)11(15,16)17/h7-9H,3-6,18H2,1-2H3
InChIKeyZBIRAWZLFIBZSU-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine?
The IUPAC name of 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine (CID 123300960) is 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine.
What is the SMILES notation for 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine?
The canonical SMILES for 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine is CCC(CC)CC(N)OCC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine?
The InChIKey is ZBIRAWZLFIBZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO/c1-3-7(4-2)5-9(18)19-6-8(10(12,13)14)11(15,16)17/h7-9H,3-6,18H2,1-2H3.
What are the key properties of 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine?
3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine has a molecular weight of 295.27 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine is sourced from PubChem (CID 123300960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).