3,3,3-trifluoro-2-octoxypropan-1-amine

C11H22F3NO — CID 43752963

IUPAC3,3,3-trifluoro-2-octoxypropan-1-amine
SMILESCCCCCCCCOC(CN)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-2-3-4-5-6-7-8-16-10(9-15)11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyVLFATYDEFMAZRV-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.25
Rot. Bonds9

About 3,3,3-trifluoro-2-octoxypropan-1-amine

3,3,3-trifluoro-2-octoxypropan-1-amine (PubChem CID 43752963) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-octoxypropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-octoxypropan-1-amine
PubChem CID43752963
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3,3,3-trifluoro-2-octoxypropan-1-amine
SMILESCCCCCCCCOC(CN)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-2-3-4-5-6-7-8-16-10(9-15)11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyVLFATYDEFMAZRV-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-octoxypropan-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 3,3,3-trifluoro-2-octoxypropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-octoxypropan-1-amine (CID 43752963) is 3,3,3-trifluoro-2-octoxypropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-octoxypropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-octoxypropan-1-amine is CCCCCCCCOC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-octoxypropan-1-amine?
The InChIKey is VLFATYDEFMAZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-2-3-4-5-6-7-8-16-10(9-15)11(12,13)14/h10H,2-9,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-octoxypropan-1-amine?
3,3,3-trifluoro-2-octoxypropan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-octoxypropan-1-amine is sourced from PubChem (CID 43752963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).