3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol

C9H17F4NO2 — CID 114358135

IUPAC3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol
SMILESCCCC(N)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-2-3-6(14)7(4-15)16-5-9(12,13)8(10)11/h6-8,15H,2-5,14H2,1H3
InChIKeyWIVSKLOJGBYOIQ-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.39
Rot. Bonds8

About 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol

3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol (PubChem CID 114358135) has the molecular formula C9H17F4NO2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol
PubChem CID114358135
Molecular FormulaC9H17F4NO2
Molecular Weight247.23 g/mol
Exact Mass247.12
IUPAC Name3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol
SMILESCCCC(N)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-2-3-6(14)7(4-15)16-5-9(12,13)8(10)11/h6-8,15H,2-5,14H2,1H3
InChIKeyWIVSKLOJGBYOIQ-UHFFFAOYSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol?
The IUPAC name of 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol (CID 114358135) is 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol?
The canonical SMILES for 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol is CCCC(N)C(CO)OCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol?
The InChIKey is WIVSKLOJGBYOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO2/c1-2-3-6(14)7(4-15)16-5-9(12,13)8(10)11/h6-8,15H,2-5,14H2,1H3.
What are the key properties of 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol?
3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol has a molecular weight of 247.23 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,2,3,3-tetrafluoropropoxy)hexan-1-ol is sourced from PubChem (CID 114358135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).