3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol

C10H20F3NO2 — CID 106811581

IUPAC3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol
SMILESCCC(O)(CN)CCCOCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-2-9(15,8-14)4-3-6-16-7-5-10(11,12)13/h15H,2-8,14H2,1H3
InChIKeyZVXAHHICSUCMIV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.84
Rot. Bonds8

About 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol

3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol (PubChem CID 106811581) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol
PubChem CID106811581
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol
SMILESCCC(O)(CN)CCCOCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-2-9(15,8-14)4-3-6-16-7-5-10(11,12)13/h15H,2-8,14H2,1H3
InChIKeyZVXAHHICSUCMIV-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol (CID 106811581) is 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol is CCC(O)(CN)CCCOCCC(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol?
The InChIKey is ZVXAHHICSUCMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-2-9(15,8-14)4-3-6-16-7-5-10(11,12)13/h15H,2-8,14H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol?
3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol has a molecular weight of 243.27 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol is sourced from PubChem (CID 106811581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).