N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine

C12H24F3NO — CID 54961719

IUPACN-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine
SMILESCCCC(CCCCOCC(F)(F)F)NCC
InChIInChI=1S/C12H24F3NO/c1-3-7-11(16-4-2)8-5-6-9-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyODCQKYOGMABEHS-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds10

About N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine

N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine (PubChem CID 54961719) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine.

Molecular Properties

Compound NameN-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine
PubChem CID54961719
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine
SMILESCCCC(CCCCOCC(F)(F)F)NCC
InChIInChI=1S/C12H24F3NO/c1-3-7-11(16-4-2)8-5-6-9-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyODCQKYOGMABEHS-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
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-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine?
The IUPAC name of N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine (CID 54961719) is N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine.
What is the SMILES notation for N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine?
The canonical SMILES for N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine is CCCC(CCCCOCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine?
The InChIKey is ODCQKYOGMABEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-3-7-11(16-4-2)8-5-6-9-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine?
N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine is sourced from PubChem (CID 54961719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).