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

C7H8F9NO — CID 123327372

IUPAC3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine
SMILESNCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9NO/c8-5(9,10)4(6(11,12)13,7(14,15)16)18-3-1-2-17/h1-3,17H2
InChIKeyUMALCRGDDRNCCM-UHFFFAOYSA-N
MW293.13 g/mol
LogP2.78
Rot. Bonds4

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

3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine (PubChem CID 123327372) has the molecular formula C7H8F9NO and a molecular weight of 293.13 g/mol. Its IUPAC name is 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine
PubChem CID123327372
Molecular FormulaC7H8F9NO
Molecular Weight293.13 g/mol
Exact Mass293.05
IUPAC Name3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine
SMILESNCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9NO/c8-5(9,10)4(6(11,12)13,7(14,15)16)18-3-1-2-17/h1-3,17H2
InChIKeyUMALCRGDDRNCCM-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 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 ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine?
The IUPAC name of 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine (CID 123327372) is 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine is NCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine?
The InChIKey is UMALCRGDDRNCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9NO/c8-5(9,10)4(6(11,12)13,7(14,15)16)18-3-1-2-17/h1-3,17H2.
What are the key properties of 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine?
3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine has a molecular weight of 293.13 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine is sourced from PubChem (CID 123327372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).