2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol

C8H13F6NO — CID 170638903

IUPAC2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol
SMILESCN(CCO)CC(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-6(9,5-15(2)3-4-16)7(10,11)8(12,13)14/h16H,3-5H2,1-2H3
InChIKeyXPPQXCOZWQQBBH-UHFFFAOYSA-N
MW253.19 g/mol
LogP1.84
Rot. Bonds5

About 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol

2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol (PubChem CID 170638903) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol
PubChem CID170638903
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC Name2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol
SMILESCN(CCO)CC(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-6(9,5-15(2)3-4-16)7(10,11)8(12,13)14/h16H,3-5H2,1-2H3
InChIKeyXPPQXCOZWQQBBH-UHFFFAOYSA-N
XLogP1.84
TPSA23.47 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol?
The IUPAC name of 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol (CID 170638903) is 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol.
What is the SMILES notation for 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol?
The canonical SMILES for 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol is CN(CCO)CC(C)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol?
The InChIKey is XPPQXCOZWQQBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO/c1-6(9,5-15(2)3-4-16)7(10,11)8(12,13)14/h16H,3-5H2,1-2H3.
What are the key properties of 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol?
2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol has a molecular weight of 253.19 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)-methylamino]ethanol is sourced from PubChem (CID 170638903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).