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

C10HF11N2 — CID 102135203

IUPAC4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole
SMILESFc1c(F)c(F)c2c(C(F)(F)C(F)(F)C(F)(F)F)[nH]nc2c1F
InChIInChI=1S/C10HF11N2/c11-2-1-6(5(14)4(13)3(2)12)22-23-7(1)8(15,16)9(17,18)10(19,20)21/h(H,22,23)
InChIKeyFTSFKJUGJTZVJF-UHFFFAOYSA-N
MW358.11 g/mol
LogP4.41
Rot. Bonds2

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

4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole (PubChem CID 102135203) has the molecular formula C10HF11N2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole
PubChem CID102135203
Molecular FormulaC10HF11N2
Molecular Weight358.11 g/mol
Exact Mass358.00
IUPAC Name4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole
SMILESFc1c(F)c(F)c2c(C(F)(F)C(F)(F)C(F)(F)F)[nH]nc2c1F
InChIInChI=1S/C10HF11N2/c11-2-1-6(5(14)4(13)3(2)12)22-23-7(1)8(15,16)9(17,18)10(19,20)21/h(H,22,23)
InChIKeyFTSFKJUGJTZVJF-UHFFFAOYSA-N
XLogP4.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.11
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole?
The IUPAC name of 4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole (CID 102135203) is 4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole.
What is the SMILES notation for 4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole?
The canonical SMILES for 4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole is Fc1c(F)c(F)c2c(C(F)(F)C(F)(F)C(F)(F)F)[nH]nc2c1F.
What is the InChIKey of 4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole?
The InChIKey is FTSFKJUGJTZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF11N2/c11-2-1-6(5(14)4(13)3(2)12)22-23-7(1)8(15,16)9(17,18)10(19,20)21/h(H,22,23).
What are the key properties of 4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole?
4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole has a molecular weight of 358.11 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole is sourced from PubChem (CID 102135203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).