N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine

C7H12F5NO — CID 134389632

IUPACN-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine
SMILESCCN(CC)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H12F5NO/c1-3-13(4-2)14-5-6(8,9)7(10,11)12/h3-5H2,1-2H3
InChIKeyLQOOLZUFKUROOP-UHFFFAOYSA-N
MW221.17 g/mol
LogP2.46
Rot. Bonds5

About N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine

N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine (PubChem CID 134389632) has the molecular formula C7H12F5NO and a molecular weight of 221.17 g/mol. Its IUPAC name is N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine
PubChem CID134389632
Molecular FormulaC7H12F5NO
Molecular Weight221.17 g/mol
Exact Mass221.08
IUPAC NameN-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine
SMILESCCN(CC)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H12F5NO/c1-3-13(4-2)14-5-6(8,9)7(10,11)12/h3-5H2,1-2H3
InChIKeyLQOOLZUFKUROOP-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
The IUPAC name of N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine (CID 134389632) is N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine.
What is the SMILES notation for N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
The canonical SMILES for N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine is CCN(CC)OCC(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
The InChIKey is LQOOLZUFKUROOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F5NO/c1-3-13(4-2)14-5-6(8,9)7(10,11)12/h3-5H2,1-2H3.
What are the key properties of N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine has a molecular weight of 221.17 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine is sourced from PubChem (CID 134389632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).