5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine

C8H11F2N3 — CID 165463441

IUPAC5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine
SMILESCn1nc2c(c1N)CC(F)(F)CC2
InChIInChI=1S/C8H11F2N3/c1-13-7(11)5-4-8(9,10)3-2-6(5)12-13/h2-4,11H2,1H3
InChIKeyRCTBJTFYXWNGIW-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.13
Rot. Bonds

About 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine

5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine (PubChem CID 165463441) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine
PubChem CID165463441
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine
SMILESCn1nc2c(c1N)CC(F)(F)CC2
InChIInChI=1S/C8H11F2N3/c1-13-7(11)5-4-8(9,10)3-2-6(5)12-13/h2-4,11H2,1H3
InChIKeyRCTBJTFYXWNGIW-UHFFFAOYSA-N
XLogP1.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine?
The IUPAC name of 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine (CID 165463441) is 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine.
What is the SMILES notation for 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine?
The canonical SMILES for 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine is Cn1nc2c(c1N)CC(F)(F)CC2.
What is the InChIKey of 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine?
The InChIKey is RCTBJTFYXWNGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-13-7(11)5-4-8(9,10)3-2-6(5)12-13/h2-4,11H2,1H3.
What are the key properties of 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine?
5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine has a molecular weight of 187.19 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-6,7-dihydro-4H-indazol-3-amine is sourced from PubChem (CID 165463441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).