N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine

C8H13F6NO2 — CID 102723293

IUPACN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO2/c1-16-4-2-15-3-5-17-6(7(9,10)11)8(12,13)14/h6,15H,2-5H2,1H3
InChIKeyQJHKVWPVGXOLAA-UHFFFAOYSA-N
MW269.19 g/mol
LogP1.73
Rot. Bonds7

About N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine

N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine (PubChem CID 102723293) has the molecular formula C8H13F6NO2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine
PubChem CID102723293
Molecular FormulaC8H13F6NO2
Molecular Weight269.19 g/mol
Exact Mass269.09
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO2/c1-16-4-2-15-3-5-17-6(7(9,10)11)8(12,13)14/h6,15H,2-5H2,1H3
InChIKeyQJHKVWPVGXOLAA-UHFFFAOYSA-N
XLogP1.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 51.73
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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Related Compounds

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine
CID 102723330
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine
CID 102723237
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N-(2-chloroethyl)-2-methoxyethanamine
CID 64980906
CID 89324812
CID 89324812
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
(E)-5-bromo-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine
CID 107140612
N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
CID 106219170

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine (CID 102723293) is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine is COCCNCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine?
The InChIKey is QJHKVWPVGXOLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO2/c1-16-4-2-15-3-5-17-6(7(9,10)11)8(12,13)14/h6,15H,2-5H2,1H3.
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine?
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine has a molecular weight of 269.19 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine is sourced from PubChem (CID 102723293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).