2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine

C15H21F2N3 — CID 170972607

IUPAC2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine
SMILESCN(C)CC(C)(C)n1ncc2ccc(CC(F)F)cc21
InChIInChI=1S/C15H21F2N3/c1-15(2,10-19(3)4)20-13-7-11(8-14(16)17)5-6-12(13)9-18-20/h5-7,9,14H,8,10H2,1-4H3
InChIKeyNYTVADDLIIDTLT-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.14
Rot. Bonds5

About 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine

2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine (PubChem CID 170972607) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine
PubChem CID170972607
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine
SMILESCN(C)CC(C)(C)n1ncc2ccc(CC(F)F)cc21
InChIInChI=1S/C15H21F2N3/c1-15(2,10-19(3)4)20-13-7-11(8-14(16)17)5-6-12(13)9-18-20/h5-7,9,14H,8,10H2,1-4H3
InChIKeyNYTVADDLIIDTLT-UHFFFAOYSA-N
XLogP3.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine (CID 170972607) is 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine is CN(C)CC(C)(C)n1ncc2ccc(CC(F)F)cc21.
What is the InChIKey of 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine?
The InChIKey is NYTVADDLIIDTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c1-15(2,10-19(3)4)20-13-7-11(8-14(16)17)5-6-12(13)9-18-20/h5-7,9,14H,8,10H2,1-4H3.
What are the key properties of 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine?
2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine has a molecular weight of 281.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2-difluoroethyl)indazol-1-yl]-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 170972607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).