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

C10H16F4N4O — CID 103474791

IUPAC1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCCn1nncc1C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4N4O/c1-2-3-18-8(4-16-17-18)7(15)5-19-6-10(13,14)9(11)12/h4,7,9H,2-3,5-6,15H2,1H3
InChIKeyFANOEKYRYASRHN-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.60
Rot. Bonds8

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

1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103474791) has the molecular formula C10H16F4N4O and a molecular weight of 284.26 g/mol. Its IUPAC name is 1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103474791
Molecular FormulaC10H16F4N4O
Molecular Weight284.26 g/mol
Exact Mass284.13
IUPAC Name1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCCn1nncc1C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4N4O/c1-2-3-18-8(4-16-17-18)7(15)5-19-6-10(13,14)9(11)12/h4,7,9H,2-3,5-6,15H2,1H3
InChIKeyFANOEKYRYASRHN-UHFFFAOYSA-N
XLogP1.60
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.60
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-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103474791) is 1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCCn1nncc1C(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is FANOEKYRYASRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N4O/c1-2-3-18-8(4-16-17-18)7(15)5-19-6-10(13,14)9(11)12/h4,7,9H,2-3,5-6,15H2,1H3.
What are the key properties of 1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 284.26 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103474791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).