3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol

C10H18F5NO2 — CID 106811574

IUPAC3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol
SMILESCCC(O)(CN)CCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NO2/c1-2-8(17,6-16)4-3-5-18-7-9(11,12)10(13,14)15/h17H,2-7,16H2,1H3
InChIKeyMAORDIPHULFWBI-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.08
Rot. Bonds8

About 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol

3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol (PubChem CID 106811574) has the molecular formula C10H18F5NO2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol
PubChem CID106811574
Molecular FormulaC10H18F5NO2
Molecular Weight279.25 g/mol
Exact Mass279.13
IUPAC Name3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol
SMILESCCC(O)(CN)CCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NO2/c1-2-8(17,6-16)4-3-5-18-7-9(11,12)10(13,14)15/h17H,2-7,16H2,1H3
InChIKeyMAORDIPHULFWBI-UHFFFAOYSA-N
XLogP2.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol (CID 106811574) is 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol is CCC(O)(CN)CCCOCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol?
The InChIKey is MAORDIPHULFWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F5NO2/c1-2-8(17,6-16)4-3-5-18-7-9(11,12)10(13,14)15/h17H,2-7,16H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol?
3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol has a molecular weight of 279.25 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol is sourced from PubChem (CID 106811574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).