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

C8H11FN2 — CID 89019623

IUPAC3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFCc1n[nH]c2c1CCCC2
InChIInChI=1S/C8H11FN2/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-5H2,(H,10,11)
InChIKeyCXXFICOOMXOEST-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.76
Rot. Bonds1

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

3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 89019623) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID89019623
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFCc1n[nH]c2c1CCCC2
InChIInChI=1S/C8H11FN2/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-5H2,(H,10,11)
InChIKeyCXXFICOOMXOEST-UHFFFAOYSA-N
XLogP1.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (CID 89019623) is 3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is FCc1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is CXXFICOOMXOEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-5H2,(H,10,11).
What are the key properties of 3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 154.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 89019623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).