1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

C8H10F4N4 — CID 106294303

IUPAC1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFC(F)C(F)(F)Cn1nnc2c1CCNC2
InChIInChI=1S/C8H10F4N4/c9-7(10)8(11,12)4-16-6-1-2-13-3-5(6)14-15-16/h7,13H,1-4H2
InChIKeyTXGBZAPREYAODV-UHFFFAOYSA-N
MW238.19 g/mol
LogP0.82
Rot. Bonds3

About 1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (PubChem CID 106294303) has the molecular formula C8H10F4N4 and a molecular weight of 238.19 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
PubChem CID106294303
Molecular FormulaC8H10F4N4
Molecular Weight238.19 g/mol
Exact Mass238.08
IUPAC Name1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFC(F)C(F)(F)Cn1nnc2c1CCNC2
InChIInChI=1S/C8H10F4N4/c9-7(10)8(11,12)4-16-6-1-2-13-3-5(6)14-15-16/h7,13H,1-4H2
InChIKeyTXGBZAPREYAODV-UHFFFAOYSA-N
XLogP0.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (CID 106294303) is 1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is FC(F)C(F)(F)Cn1nnc2c1CCNC2.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The InChIKey is TXGBZAPREYAODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4/c9-7(10)8(11,12)4-16-6-1-2-13-3-5(6)14-15-16/h7,13H,1-4H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine has a molecular weight of 238.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is sourced from PubChem (CID 106294303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).