2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol

C10H17F6NO2 — CID 106810715

IUPAC2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol
SMILESCCC(N)(CO)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2/c1-2-8(17,6-18)4-3-5-19-7(9(11,12)13)10(14,15)16/h7,18H,2-6,17H2,1H3
InChIKeyJOVWSNJDMXUMIA-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.38
Rot. Bonds7

About 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol

2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol (PubChem CID 106810715) has the molecular formula C10H17F6NO2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol
PubChem CID106810715
Molecular FormulaC10H17F6NO2
Molecular Weight297.24 g/mol
Exact Mass297.12
IUPAC Name2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol
SMILESCCC(N)(CO)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2/c1-2-8(17,6-18)4-3-5-19-7(9(11,12)13)10(14,15)16/h7,18H,2-6,17H2,1H3
InChIKeyJOVWSNJDMXUMIA-UHFFFAOYSA-N
XLogP2.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol (CID 106810715) is 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol is CCC(N)(CO)CCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol?
The InChIKey is JOVWSNJDMXUMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6NO2/c1-2-8(17,6-18)4-3-5-19-7(9(11,12)13)10(14,15)16/h7,18H,2-6,17H2,1H3.
What are the key properties of 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol?
2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol has a molecular weight of 297.24 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol is sourced from PubChem (CID 106810715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).