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

C8H13F6NO2 — CID 102722005

IUPAC3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol
SMILESCCC(N)C(CO)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO2/c1-2-4(15)5(3-16)17-6(7(9,10)11)8(12,13)14/h4-6,16H,2-3,15H2,1H3
InChIKeyIJMXELYNJUNUBP-UHFFFAOYSA-N
MW269.19 g/mol
LogP1.59
Rot. Bonds5

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

3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol (PubChem CID 102722005) has the molecular formula C8H13F6NO2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol
PubChem CID102722005
Molecular FormulaC8H13F6NO2
Molecular Weight269.19 g/mol
Exact Mass269.09
IUPAC Name3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol
SMILESCCC(N)C(CO)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO2/c1-2-4(15)5(3-16)17-6(7(9,10)11)8(12,13)14/h4-6,16H,2-3,15H2,1H3
InChIKeyIJMXELYNJUNUBP-UHFFFAOYSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol?
The IUPAC name of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol (CID 102722005) is 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol?
The canonical SMILES for 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol is CCC(N)C(CO)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol?
The InChIKey is IJMXELYNJUNUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO2/c1-2-4(15)5(3-16)17-6(7(9,10)11)8(12,13)14/h4-6,16H,2-3,15H2,1H3.
What are the key properties of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol?
3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol has a molecular weight of 269.19 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol is sourced from PubChem (CID 102722005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).