1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole

C12H8F3N5O — CID 21196638

IUPAC1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole
SMILES[N-]=[N+]=NC(Cn1ncc2ccc3occc3c21)C(F)(F)F
InChIInChI=1S/C12H8F3N5O/c13-12(14,15)10(18-19-16)6-20-11-7(5-17-20)1-2-9-8(11)3-4-21-9/h1-5,10H,6H2
InChIKeyISEMYYUYFXCHMN-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.02
Rot. Bonds3

About 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole

1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole (PubChem CID 21196638) has the molecular formula C12H8F3N5O and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole.

Molecular Properties

Compound Name1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole
PubChem CID21196638
Molecular FormulaC12H8F3N5O
Molecular Weight295.22 g/mol
Exact Mass295.07
IUPAC Name1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole
SMILES[N-]=[N+]=NC(Cn1ncc2ccc3occc3c21)C(F)(F)F
InChIInChI=1S/C12H8F3N5O/c13-12(14,15)10(18-19-16)6-20-11-7(5-17-20)1-2-9-8(11)3-4-21-9/h1-5,10H,6H2
InChIKeyISEMYYUYFXCHMN-UHFFFAOYSA-N
XLogP4.02
TPSA79.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole?
The IUPAC name of 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole (CID 21196638) is 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole.
What is the SMILES notation for 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole?
The canonical SMILES for 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole is [N-]=[N+]=NC(Cn1ncc2ccc3occc3c21)C(F)(F)F.
What is the InChIKey of 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole?
The InChIKey is ISEMYYUYFXCHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O/c13-12(14,15)10(18-19-16)6-20-11-7(5-17-20)1-2-9-8(11)3-4-21-9/h1-5,10H,6H2.
What are the key properties of 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole?
1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole has a molecular weight of 295.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole is sourced from PubChem (CID 21196638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).