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

C8H12F4N4O — CID 103474788

IUPAC1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCn1nncc1C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4N4O/c1-16-6(2-14-15-16)5(13)3-17-4-8(11,12)7(9)10/h2,5,7H,3-4,13H2,1H3
InChIKeyDVSQAIORGYWZEP-UHFFFAOYSA-N
MW256.20 g/mol
LogP0.73
Rot. Bonds6

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

1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103474788) has the molecular formula C8H12F4N4O and a molecular weight of 256.20 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103474788
Molecular FormulaC8H12F4N4O
Molecular Weight256.20 g/mol
Exact Mass256.09
IUPAC Name1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCn1nncc1C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4N4O/c1-16-6(2-14-15-16)5(13)3-17-4-8(11,12)7(9)10/h2,5,7H,3-4,13H2,1H3
InChIKeyDVSQAIORGYWZEP-UHFFFAOYSA-N
XLogP0.73
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 50.73
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-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103474788) is 1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is Cn1nncc1C(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is DVSQAIORGYWZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N4O/c1-16-6(2-14-15-16)5(13)3-17-4-8(11,12)7(9)10/h2,5,7H,3-4,13H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 256.20 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103474788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).