N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine

C15H30F3NO — CID 63826763

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCCOCC(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-3-5-7-9-14(10-8-6-4-2)19-11-12-20-13-15(16,17)18/h14,19H,3-13H2,1-2H3
InChIKeySTYSZGGTUXYFNZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.68
Rot. Bonds13

About N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine (PubChem CID 63826763) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine
PubChem CID63826763
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCCOCC(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-3-5-7-9-14(10-8-6-4-2)19-11-12-20-13-15(16,17)18/h14,19H,3-13H2,1-2H3
InChIKeySTYSZGGTUXYFNZ-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine (CID 63826763) is N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine is CCCCCC(CCCCC)NCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine?
The InChIKey is STYSZGGTUXYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-3-5-7-9-14(10-8-6-4-2)19-11-12-20-13-15(16,17)18/h14,19H,3-13H2,1-2H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine has a molecular weight of 297.40 g/mol, XLogP of 4.68, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine is sourced from PubChem (CID 63826763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).