2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine

C10H15F6NO2 — CID 102723358

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESFC(F)(F)C(OCCNCC1CCOC1)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c11-9(12,13)8(10(14,15)16)19-4-2-17-5-7-1-3-18-6-7/h7-8,17H,1-6H2
InChIKeyUSNUPYLQJGTIBJ-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.12
Rot. Bonds6

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 102723358) has the molecular formula C10H15F6NO2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID102723358
Molecular FormulaC10H15F6NO2
Molecular Weight295.22 g/mol
Exact Mass295.10
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESFC(F)(F)C(OCCNCC1CCOC1)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c11-9(12,13)8(10(14,15)16)19-4-2-17-5-7-1-3-18-6-7/h7-8,17H,1-6H2
InChIKeyUSNUPYLQJGTIBJ-UHFFFAOYSA-N
XLogP2.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine (CID 102723358) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine is FC(F)(F)C(OCCNCC1CCOC1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is USNUPYLQJGTIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2/c11-9(12,13)8(10(14,15)16)19-4-2-17-5-7-1-3-18-6-7/h7-8,17H,1-6H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 295.22 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 102723358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).