3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

C11H22F3NO — CID 65019805

IUPAC3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCCCC(N)(CC)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-6-10(15,4-2)7-8-16-9-11(12,13)14/h3-9,15H2,1-2H3
InChIKeyIMJBTAXDFSYLBM-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.25
Rot. Bonds8

About 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 65019805) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID65019805
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCCCC(N)(CC)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-6-10(15,4-2)7-8-16-9-11(12,13)14/h3-9,15H2,1-2H3
InChIKeyIMJBTAXDFSYLBM-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.25
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 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 65019805) is 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is CCCCC(N)(CC)CCOCC(F)(F)F.
What is the InChIKey of 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is IMJBTAXDFSYLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-5-6-10(15,4-2)7-8-16-9-11(12,13)14/h3-9,15H2,1-2H3.
What are the key properties of 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 65019805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).