2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine

C11H22F3NO — CID 106708697

IUPAC2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
SMILESCC(OCCCCC(C)(C)CN)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(11(12,13)14)16-7-5-4-6-10(2,3)8-15/h9H,4-8,15H2,1-3H3
InChIKeyUSBSBHSVTXVSTL-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds7

About 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine

2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine (PubChem CID 106708697) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
PubChem CID106708697
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
SMILESCC(OCCCCC(C)(C)CN)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(11(12,13)14)16-7-5-4-6-10(2,3)8-15/h9H,4-8,15H2,1-3H3
InChIKeyUSBSBHSVTXVSTL-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine 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 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine (CID 106708697) is 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine is CC(OCCCCC(C)(C)CN)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
The InChIKey is USBSBHSVTXVSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(11(12,13)14)16-7-5-4-6-10(2,3)8-15/h9H,4-8,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine is sourced from PubChem (CID 106708697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).