2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine

C9H13F2N3 — CID 119031270

IUPAC2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
SMILESNCC(F)(F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C9H13F2N3/c10-9(11,5-12)8-6-3-1-2-4-7(6)13-14-8/h1-5,12H2,(H,13,14)
InChIKeyFTGXJLZMECITOC-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.34
Rot. Bonds2

About 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine

2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine (PubChem CID 119031270) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
PubChem CID119031270
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
SMILESNCC(F)(F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C9H13F2N3/c10-9(11,5-12)8-6-3-1-2-4-7(6)13-14-8/h1-5,12H2,(H,13,14)
InChIKeyFTGXJLZMECITOC-UHFFFAOYSA-N
XLogP1.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine (CID 119031270) is 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine is NCC(F)(F)c1n[nH]c2c1CCCC2.
What is the InChIKey of 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine?
The InChIKey is FTGXJLZMECITOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-9(11,5-12)8-6-3-1-2-4-7(6)13-14-8/h1-5,12H2,(H,13,14).
What are the key properties of 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine?
2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine has a molecular weight of 201.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine is sourced from PubChem (CID 119031270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).