N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine

C9H12F9NO — CID 138604544

IUPACN-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine
SMILESCCCNCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F9NO/c1-2-3-19-4-5-20-6(7(10,11)12,8(13,14)15)9(16,17)18/h19H,2-5H2,1H3
InChIKeyUSZHHIFUSZQHFZ-UHFFFAOYSA-N
MW321.18 g/mol
LogP3.43
Rot. Bonds6

About N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine

N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine (PubChem CID 138604544) has the molecular formula C9H12F9NO and a molecular weight of 321.18 g/mol. Its IUPAC name is N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine
PubChem CID138604544
Molecular FormulaC9H12F9NO
Molecular Weight321.18 g/mol
Exact Mass321.08
IUPAC NameN-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine
SMILESCCCNCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F9NO/c1-2-3-19-4-5-20-6(7(10,11)12,8(13,14)15)9(16,17)18/h19H,2-5H2,1H3
InChIKeyUSZHHIFUSZQHFZ-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 53.43
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-Methoxyethyl)(3,3,3-trifluoropropyl)amine
CID 59028600
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CID 65102380
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CID 118610583
2-(Difluoromethyl)-2-methylmorpholine
CID 126794171
2,2-Bis(trifluoromethyl)morpholine
CID 137964489
N-[2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethyl]propan-2-amine
CID 57916980
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 60690622
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-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65802991
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-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine?
The IUPAC name of N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine (CID 138604544) is N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine?
The canonical SMILES for N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine is CCCNCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine?
The InChIKey is USZHHIFUSZQHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F9NO/c1-2-3-19-4-5-20-6(7(10,11)12,8(13,14)15)9(16,17)18/h19H,2-5H2,1H3.
What are the key properties of N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine?
N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine has a molecular weight of 321.18 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine is sourced from PubChem (CID 138604544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).