N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine

C11H22F3NO — CID 61490744

IUPACN-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
SMILESCCCC(CCCOCC(F)(F)F)NCC
InChIInChI=1S/C11H22F3NO/c1-3-6-10(15-4-2)7-5-8-16-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyJPRFEPAHJPSVQG-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds9

About N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine

N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine (PubChem CID 61490744) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
PubChem CID61490744
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
SMILESCCCC(CCCOCC(F)(F)F)NCC
InChIInChI=1S/C11H22F3NO/c1-3-6-10(15-4-2)7-5-8-16-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyJPRFEPAHJPSVQG-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
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-1-(2,2,2-trifluoroethoxy)heptan-4-amine?
The IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine (CID 61490744) is N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine.
What is the SMILES notation for N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine?
The canonical SMILES for N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine is CCCC(CCCOCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine?
The InChIKey is JPRFEPAHJPSVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-6-10(15-4-2)7-5-8-16-9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine?
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 9 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)heptan-4-amine is sourced from PubChem (CID 61490744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).