4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine

C8H5F2N5O — CID 59410522

IUPAC4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine
SMILESNc1ccc2c(c1)-n1nnnc1C(F)(F)O2
InChIInChI=1S/C8H5F2N5O/c9-8(10)7-12-13-14-15(7)5-3-4(11)1-2-6(5)16-8/h1-3H,11H2
InChIKeyXRFRIBMEDBTXHC-UHFFFAOYSA-N
MW225.16 g/mol
LogP0.69
Rot. Bonds

About 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine

4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine (PubChem CID 59410522) has the molecular formula C8H5F2N5O and a molecular weight of 225.16 g/mol. Its IUPAC name is 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine.

Molecular Properties

Compound Name4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine
PubChem CID59410522
Molecular FormulaC8H5F2N5O
Molecular Weight225.16 g/mol
Exact Mass225.05
IUPAC Name4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine
SMILESNc1ccc2c(c1)-n1nnnc1C(F)(F)O2
InChIInChI=1S/C8H5F2N5O/c9-8(10)7-12-13-14-15(7)5-3-4(11)1-2-6(5)16-8/h1-3H,11H2
InChIKeyXRFRIBMEDBTXHC-UHFFFAOYSA-N
XLogP0.69
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine?
The IUPAC name of 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine (CID 59410522) is 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine.
What is the SMILES notation for 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine?
The canonical SMILES for 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine is Nc1ccc2c(c1)-n1nnnc1C(F)(F)O2.
What is the InChIKey of 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine?
The InChIKey is XRFRIBMEDBTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N5O/c9-8(10)7-12-13-14-15(7)5-3-4(11)1-2-6(5)16-8/h1-3H,11H2.
What are the key properties of 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine?
4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine has a molecular weight of 225.16 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorotetrazolo[5,1-c][1,4]benzoxazin-8-amine is sourced from PubChem (CID 59410522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).