4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine

C9H8F3N3O — CID 118046747

IUPAC4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2cccc(OCC(F)(F)F)c12
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)4-16-6-3-1-2-5-7(6)8(13)15-14-5/h1-3H,4H2,(H3,13,14,15)
InChIKeyXERSNIJCEODDNP-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.09
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine

4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine (PubChem CID 118046747) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine
PubChem CID118046747
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2cccc(OCC(F)(F)F)c12
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)4-16-6-3-1-2-5-7(6)8(13)15-14-5/h1-3H,4H2,(H3,13,14,15)
InChIKeyXERSNIJCEODDNP-UHFFFAOYSA-N
XLogP2.09
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine (CID 118046747) is 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine is Nc1n[nH]c2cccc(OCC(F)(F)F)c12.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine?
The InChIKey is XERSNIJCEODDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c10-9(11,12)4-16-6-3-1-2-5-7(6)8(13)15-14-5/h1-3H,4H2,(H3,13,14,15).
What are the key properties of 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine?
4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine has a molecular weight of 231.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)-1H-indazol-3-amine is sourced from PubChem (CID 118046747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).