2-(difluoromethyl)indazol-4-amine

C8H7F2N3 — CID 90308801

IUPAC2-(difluoromethyl)indazol-4-amine
SMILESNc1cccc2nn(C(F)F)cc12
InChIInChI=1S/C8H7F2N3/c9-8(10)13-4-5-6(11)2-1-3-7(5)12-13/h1-4,8H,11H2
InChIKeyNCPVOUDLUKIFDO-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.01
Rot. Bonds1

About 2-(difluoromethyl)indazol-4-amine

2-(difluoromethyl)indazol-4-amine (PubChem CID 90308801) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(difluoromethyl)indazol-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)indazol-4-amine
PubChem CID90308801
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name2-(difluoromethyl)indazol-4-amine
SMILESNc1cccc2nn(C(F)F)cc12
InChIInChI=1S/C8H7F2N3/c9-8(10)13-4-5-6(11)2-1-3-7(5)12-13/h1-4,8H,11H2
InChIKeyNCPVOUDLUKIFDO-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)indazol-4-amine?
The IUPAC name of 2-(difluoromethyl)indazol-4-amine (CID 90308801) is 2-(difluoromethyl)indazol-4-amine.
What is the SMILES notation for 2-(difluoromethyl)indazol-4-amine?
The canonical SMILES for 2-(difluoromethyl)indazol-4-amine is Nc1cccc2nn(C(F)F)cc12.
What is the InChIKey of 2-(difluoromethyl)indazol-4-amine?
The InChIKey is NCPVOUDLUKIFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c9-8(10)13-4-5-6(11)2-1-3-7(5)12-13/h1-4,8H,11H2.
What are the key properties of 2-(difluoromethyl)indazol-4-amine?
2-(difluoromethyl)indazol-4-amine has a molecular weight of 183.16 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)indazol-4-amine is sourced from PubChem (CID 90308801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).