3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole

C8H6F6N2 — CID 90385298

IUPAC3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole
SMILESFC(F)c1[nH]nc2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C8H6F6N2/c9-6(10)4-3-5(16-15-4)8(13,14)2-1-7(3,11)12/h6H,1-2H2,(H,15,16)
InChIKeyIPHUWAJZKWPQNK-UHFFFAOYSA-N
MW244.14 g/mol
LogP3.32
Rot. Bonds1

About 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole

3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole (PubChem CID 90385298) has the molecular formula C8H6F6N2 and a molecular weight of 244.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole
PubChem CID90385298
Molecular FormulaC8H6F6N2
Molecular Weight244.14 g/mol
Exact Mass244.04
IUPAC Name3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole
SMILESFC(F)c1[nH]nc2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C8H6F6N2/c9-6(10)4-3-5(16-15-4)8(13,14)2-1-7(3,11)12/h6H,1-2H2,(H,15,16)
InChIKeyIPHUWAJZKWPQNK-UHFFFAOYSA-N
XLogP3.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole?
The IUPAC name of 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole (CID 90385298) is 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole.
What is the SMILES notation for 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole?
The canonical SMILES for 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole is FC(F)c1[nH]nc2c1C(F)(F)CCC2(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole?
The InChIKey is IPHUWAJZKWPQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2/c9-6(10)4-3-5(16-15-4)8(13,14)2-1-7(3,11)12/h6H,1-2H2,(H,15,16).
What are the key properties of 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole?
3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole has a molecular weight of 244.14 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole is sourced from PubChem (CID 90385298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).