(7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C8H9F4N3 — CID 142555694

IUPAC(7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESF[C@@H]1CCn2nc(CCC(F)(F)F)nc21
InChIInChI=1S/C8H9F4N3/c9-5-2-4-15-7(5)13-6(14-15)1-3-8(10,11)12/h5H,1-4H2/t5-/m1/s1
InChIKeyBIAADAIYELGMMM-RXMQYKEDSA-N
MW223.17 g/mol
LogP2.19
Rot. Bonds2

About (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

(7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 142555694) has the molecular formula C8H9F4N3 and a molecular weight of 223.17 g/mol. Its IUPAC name is (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID142555694
Molecular FormulaC8H9F4N3
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC Name(7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESF[C@@H]1CCn2nc(CCC(F)(F)F)nc21
InChIInChI=1S/C8H9F4N3/c9-5-2-4-15-7(5)13-6(14-15)1-3-8(10,11)12/h5H,1-4H2/t5-/m1/s1
InChIKeyBIAADAIYELGMMM-RXMQYKEDSA-N
XLogP2.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 142555694) is (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is F[C@@H]1CCn2nc(CCC(F)(F)F)nc21.
What is the InChIKey of (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is BIAADAIYELGMMM-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9F4N3/c9-5-2-4-15-7(5)13-6(14-15)1-3-8(10,11)12/h5H,1-4H2/t5-/m1/s1.
What are the key properties of (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 223.17 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 142555694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).