7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole

C11H13F5N2 — CID 71204340

IUPAC7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2
InChIInChI=1S/C11H13F5N2/c1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16/h6H,3-5H2,1-2H3
InChIKeyRNIMDLXTTINION-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.91
Rot. Bonds1

About 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole

7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole (PubChem CID 71204340) has the molecular formula C11H13F5N2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole.

Molecular Properties

Compound Name7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole
PubChem CID71204340
Molecular FormulaC11H13F5N2
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2
InChIInChI=1S/C11H13F5N2/c1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16/h6H,3-5H2,1-2H3
InChIKeyRNIMDLXTTINION-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole?
The IUPAC name of 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole (CID 71204340) is 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole.
What is the SMILES notation for 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole?
The canonical SMILES for 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole is CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2.
What is the InChIKey of 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole?
The InChIKey is RNIMDLXTTINION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2/c1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16/h6H,3-5H2,1-2H3.
What are the key properties of 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole?
7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole has a molecular weight of 268.23 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole is sourced from PubChem (CID 71204340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).