1-(2,2,2-trifluoroethoxy)undecan-3-amine

C13H26F3NO — CID 103148064

IUPAC1-(2,2,2-trifluoroethoxy)undecan-3-amine
SMILESCCCCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-2-3-4-5-6-7-8-12(17)9-10-18-11-13(14,15)16/h12H,2-11,17H2,1H3
InChIKeyGSKBYJQOZZWFNB-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.03
Rot. Bonds11

About 1-(2,2,2-trifluoroethoxy)undecan-3-amine

1-(2,2,2-trifluoroethoxy)undecan-3-amine (PubChem CID 103148064) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)undecan-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)undecan-3-amine
PubChem CID103148064
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name1-(2,2,2-trifluoroethoxy)undecan-3-amine
SMILESCCCCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-2-3-4-5-6-7-8-12(17)9-10-18-11-13(14,15)16/h12H,2-11,17H2,1H3
InChIKeyGSKBYJQOZZWFNB-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,2,2-trifluoroethoxy)undecan-3-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 1-(2,2,2-trifluoroethoxy)undecan-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)undecan-3-amine (CID 103148064) is 1-(2,2,2-trifluoroethoxy)undecan-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)undecan-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)undecan-3-amine is CCCCCCCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)undecan-3-amine?
The InChIKey is GSKBYJQOZZWFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-2-3-4-5-6-7-8-12(17)9-10-18-11-13(14,15)16/h12H,2-11,17H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)undecan-3-amine?
1-(2,2,2-trifluoroethoxy)undecan-3-amine has a molecular weight of 269.35 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)undecan-3-amine is sourced from PubChem (CID 103148064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).