3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole

C10H9F7N2 — CID 10469455

IUPAC3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H9F7N2/c11-8(12,9(13,14)10(15,16)17)7-5-3-1-2-4-6(5)18-19-7/h1-4H2,(H,18,19)
InChIKeyUMUZULHRVCJDJS-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.58
Rot. Bonds2

About 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole

3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 10469455) has the molecular formula C10H9F7N2 and a molecular weight of 290.18 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID10469455
Molecular FormulaC10H9F7N2
Molecular Weight290.18 g/mol
Exact Mass290.07
IUPAC Name3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H9F7N2/c11-8(12,9(13,14)10(15,16)17)7-5-3-1-2-4-6(5)18-19-7/h1-4H2,(H,18,19)
InChIKeyUMUZULHRVCJDJS-UHFFFAOYSA-N
XLogP3.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole (CID 10469455) is 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole is FC(F)(F)C(F)(F)C(F)(F)c1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is UMUZULHRVCJDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7N2/c11-8(12,9(13,14)10(15,16)17)7-5-3-1-2-4-6(5)18-19-7/h1-4H2,(H,18,19).
What are the key properties of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole?
3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 290.18 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 10469455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).