N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine

C9H15F4NO — CID 103475748

IUPACN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=CC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C9H15F4NO/c1-3-7(14-4-2)5-15-6-9(12,13)8(10)11/h3,7-8,14H,1,4-6H2,2H3
InChIKeyDZIJEOQXRXUQAN-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.07
Rot. Bonds8

About N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine

N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (PubChem CID 103475748) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
PubChem CID103475748
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC NameN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=CC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C9H15F4NO/c1-3-7(14-4-2)5-15-6-9(12,13)8(10)11/h3,7-8,14H,1,4-6H2,2H3
InChIKeyDZIJEOQXRXUQAN-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The IUPAC name of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (CID 103475748) is N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.
What is the SMILES notation for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The canonical SMILES for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is C=CC(COCC(F)(F)C(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The InChIKey is DZIJEOQXRXUQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c1-3-7(14-4-2)5-15-6-9(12,13)8(10)11/h3,7-8,14H,1,4-6H2,2H3.
What are the key properties of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine has a molecular weight of 229.22 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is sourced from PubChem (CID 103475748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).