N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine

C10H18F3NO — CID 103148486

IUPACN-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
SMILESC=CCC(CCOCC(F)(F)F)NCC
InChIInChI=1S/C10H18F3NO/c1-3-5-9(14-4-2)6-7-15-8-10(11,12)13/h3,9,14H,1,4-8H2,2H3
InChIKeySNRJPTZDBYQCLB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds8

About N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine

N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine (PubChem CID 103148486) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
PubChem CID103148486
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
SMILESC=CCC(CCOCC(F)(F)F)NCC
InChIInChI=1S/C10H18F3NO/c1-3-5-9(14-4-2)6-7-15-8-10(11,12)13/h3,9,14H,1,4-8H2,2H3
InChIKeySNRJPTZDBYQCLB-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
The IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine (CID 103148486) is N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine.
What is the SMILES notation for N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
The canonical SMILES for N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine is C=CCC(CCOCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
The InChIKey is SNRJPTZDBYQCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-5-9(14-4-2)6-7-15-8-10(11,12)13/h3,9,14H,1,4-8H2,2H3.
What are the key properties of N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine is sourced from PubChem (CID 103148486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).