1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C9H14F4N4O — CID 114213298

IUPAC1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCn1nncc1C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4N4O/c1-2-17-7(3-15-16-17)6(14)4-18-5-9(12,13)8(10)11/h3,6,8H,2,4-5,14H2,1H3
InChIKeyRYCTUZLWIXBUJF-UHFFFAOYSA-N
MW270.23 g/mol
LogP1.21
Rot. Bonds7

About 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 114213298) has the molecular formula C9H14F4N4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID114213298
Molecular FormulaC9H14F4N4O
Molecular Weight270.23 g/mol
Exact Mass270.11
IUPAC Name1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCn1nncc1C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4N4O/c1-2-17-7(3-15-16-17)6(14)4-18-5-9(12,13)8(10)11/h3,6,8H,2,4-5,14H2,1H3
InChIKeyRYCTUZLWIXBUJF-UHFFFAOYSA-N
XLogP1.21
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 114213298) is 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCn1nncc1C(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is RYCTUZLWIXBUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N4O/c1-2-17-7(3-15-16-17)6(14)4-18-5-9(12,13)8(10)11/h3,6,8H,2,4-5,14H2,1H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 270.23 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 114213298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).