N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine

C8H13F6NO — CID 163724189

IUPACN-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine
SMILESCCNCCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-3-15-4-5-16-6(2,7(9,10)11)8(12,13)14/h15H,3-5H2,1-2H3
InChIKeyKUEGSNVUMHTTKC-UHFFFAOYSA-N
MW253.19 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine

N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine (PubChem CID 163724189) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine
PubChem CID163724189
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC NameN-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine
SMILESCCNCCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-3-15-4-5-16-6(2,7(9,10)11)8(12,13)14/h15H,3-5H2,1-2H3
InChIKeyKUEGSNVUMHTTKC-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Difluoromethyl)-2-methylmorpholine
CID 126794171
Bis-(2-pentafluoroethyloxy-ethyl)-amine
CID 12046721
N-(2-ethoxyethyl)-2,2,2-trifluoroethanamine
CID 43387971
N-[2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethyl]propan-2-amine
CID 57916980
2-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxyethanamine
CID 57917205
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 60690622
N-(2-ethoxyethyl)-2,2-difluoroethanamine
CID 60921493
N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61492431
2,2,2-trifluoro-N-(2-propoxyethyl)ethanamine
CID 62582651
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 62599025
2-Methyl-2-(trifluoromethyl)morpholine
CID 84021568
2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine
CID 89146026

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine?
The IUPAC name of N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine (CID 163724189) is N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine.
What is the SMILES notation for N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine?
The canonical SMILES for N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine is CCNCCOC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine?
The InChIKey is KUEGSNVUMHTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO/c1-3-15-4-5-16-6(2,7(9,10)11)8(12,13)14/h15H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine?
N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine has a molecular weight of 253.19 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine is sourced from PubChem (CID 163724189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).