2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine

C9H11F2N3 — CID 163989332

IUPAC2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine
SMILESNC1=CC2=CN(CC(F)F)NC2C=C1
InChIInChI=1S/C9H11F2N3/c10-9(11)5-14-4-6-3-7(12)1-2-8(6)13-14/h1-4,8-9,13H,5,12H2
InChIKeyTZFBUHOAMGGIGW-UHFFFAOYSA-N
MW199.20 g/mol
LogP0.74
Rot. Bonds2

About 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine

2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine (PubChem CID 163989332) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine
PubChem CID163989332
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC Name2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine
SMILESNC1=CC2=CN(CC(F)F)NC2C=C1
InChIInChI=1S/C9H11F2N3/c10-9(11)5-14-4-6-3-7(12)1-2-8(6)13-14/h1-4,8-9,13H,5,12H2
InChIKeyTZFBUHOAMGGIGW-UHFFFAOYSA-N
XLogP0.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Trifluoromethyl)-1,5-dihydropyrazolo[1,5-a]pyridine
CID 132183528
4-Chloro-2-methyl-6-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-a]pyridine
CID 134334598
2-(trifluoromethyl)-2H-pyridine-1,4-diamine
CID 141002270
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole;ethane
CID 143926110
(7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine
CID 176566847
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole
CID 143926111
3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 160896325
N,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 161823292
7-Fluoro-2-methyl-1,7a-dihydroindazol-4-amine
CID 166076599
3,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047454
2,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047670
2-Cyclohexa-1,5-dien-1-yl-1,5-dihydropyrazole
CID 68070588

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine?
The IUPAC name of 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine (CID 163989332) is 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine?
The canonical SMILES for 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine is NC1=CC2=CN(CC(F)F)NC2C=C1.
What is the InChIKey of 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine?
The InChIKey is TZFBUHOAMGGIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3/c10-9(11)5-14-4-6-3-7(12)1-2-8(6)13-14/h1-4,8-9,13H,5,12H2.
What are the key properties of 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine?
2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine has a molecular weight of 199.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1,7a-dihydroindazol-5-amine is sourced from PubChem (CID 163989332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).