6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol

C12H24F3NO — CID 104925287

IUPAC6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol
SMILESCC(CCCC(F)(F)F)NCCCCCCO
InChIInChI=1S/C12H24F3NO/c1-11(7-6-8-12(13,14)15)16-9-4-2-3-5-10-17/h11,16-17H,2-10H2,1H3
InChIKeyMXOSMRKNLXJCJJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.25
Rot. Bonds10

About 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol

6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol (PubChem CID 104925287) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol
PubChem CID104925287
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol
SMILESCC(CCCC(F)(F)F)NCCCCCCO
InChIInChI=1S/C12H24F3NO/c1-11(7-6-8-12(13,14)15)16-9-4-2-3-5-10-17/h11,16-17H,2-10H2,1H3
InChIKeyMXOSMRKNLXJCJJ-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-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 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol (CID 104925287) is 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol is CC(CCCC(F)(F)F)NCCCCCCO.
What is the InChIKey of 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol?
The InChIKey is MXOSMRKNLXJCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-11(7-6-8-12(13,14)15)16-9-4-2-3-5-10-17/h11,16-17H,2-10H2,1H3.
What are the key properties of 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol?
6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,6,6-trifluorohexan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 104925287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).