1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole

C9H12F2N2 — CID 141267794

IUPAC1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole
SMILESCCn1ncc2c1CC(F)(F)CC2
InChIInChI=1S/C9H12F2N2/c1-2-13-8-5-9(10,11)4-3-7(8)6-12-13/h6H,2-5H2,1H3
InChIKeyQJWNFTVKQIIFMK-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.03
Rot. Bonds1

About 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole

1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole (PubChem CID 141267794) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole.

Molecular Properties

Compound Name1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole
PubChem CID141267794
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole
SMILESCCn1ncc2c1CC(F)(F)CC2
InChIInChI=1S/C9H12F2N2/c1-2-13-8-5-9(10,11)4-3-7(8)6-12-13/h6H,2-5H2,1H3
InChIKeyQJWNFTVKQIIFMK-UHFFFAOYSA-N
XLogP2.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-amine
CID 45121281
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 84717099
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1-(Trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 91573377
2-Methyl-4,5,6,7-tetrahydro-2H-indazole
CID 21724025
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
1-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 45791492

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole?
The IUPAC name of 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole (CID 141267794) is 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole.
What is the SMILES notation for 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole?
The canonical SMILES for 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole is CCn1ncc2c1CC(F)(F)CC2.
What is the InChIKey of 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole?
The InChIKey is QJWNFTVKQIIFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-2-13-8-5-9(10,11)4-3-7(8)6-12-13/h6H,2-5H2,1H3.
What are the key properties of 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole?
1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole has a molecular weight of 186.20 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole is sourced from PubChem (CID 141267794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).