2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine

C7H8F9NO — CID 126551519

IUPAC2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine
SMILESCNCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9NO/c1-17-2-3-18-4(5(8,9)10,6(11,12)13)7(14,15)16/h17H,2-3H2,1H3
InChIKeyHDLHUCIJUWSUHR-UHFFFAOYSA-N
MW293.13 g/mol
LogP2.65
Rot. Bonds4

About 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine

2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine (PubChem CID 126551519) has the molecular formula C7H8F9NO and a molecular weight of 293.13 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine
PubChem CID126551519
Molecular FormulaC7H8F9NO
Molecular Weight293.13 g/mol
Exact Mass293.05
IUPAC Name2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine
SMILESCNCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9NO/c1-17-2-3-18-4(5(8,9)10,6(11,12)13)7(14,15)16/h17H,2-3H2,1H3
InChIKeyHDLHUCIJUWSUHR-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 52.65
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-(Tert-butoxy)ethyl)(methyl)amine
CID 53413892
2-(Difluoromethyl)-2-methylmorpholine
CID 126794171
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-difluoroethoxy)-N-methylethanamine
CID 58684435
N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 58685072
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

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine (CID 126551519) is 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine is CNCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine?
The InChIKey is HDLHUCIJUWSUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9NO/c1-17-2-3-18-4(5(8,9)10,6(11,12)13)7(14,15)16/h17H,2-3H2,1H3.
What are the key properties of 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine?
2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine has a molecular weight of 293.13 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine is sourced from PubChem (CID 126551519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).