N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine

C11H20F3NO — CID 107006845

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine
SMILESC=CCCCCCNCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-3-4-5-6-7-15-8-9-16-10-11(12,13)14/h2,15H,1,3-10H2
InChIKeyXAVARUUPQOXDSV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.90
Rot. Bonds10

About N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine (PubChem CID 107006845) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine
PubChem CID107006845
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine
SMILESC=CCCCCCNCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-3-4-5-6-7-15-8-9-16-10-11(12,13)14/h2,15H,1,3-10H2
InChIKeyXAVARUUPQOXDSV-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.90
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-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine (CID 107006845) is N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine is C=CCCCCCNCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine?
The InChIKey is XAVARUUPQOXDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-3-4-5-6-7-15-8-9-16-10-11(12,13)14/h2,15H,1,3-10H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.90, 10 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]hept-6-en-1-amine is sourced from PubChem (CID 107006845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).