6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine

C10H8FN5O3 — CID 90437675

IUPAC6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine
SMILESCC1(C)Oc2c(F)cc([N+](=O)[O-])cc2-n2nnnc21
InChIInChI=1S/C10H8FN5O3/c1-10(2)9-12-13-14-15(9)7-4-5(16(17)18)3-6(11)8(7)19-10/h3-4H,1-2H3
InChIKeyHCNKORDLBUBHQD-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.34
Rot. Bonds1

About 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine

6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine (PubChem CID 90437675) has the molecular formula C10H8FN5O3 and a molecular weight of 265.20 g/mol. Its IUPAC name is 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine
PubChem CID90437675
Molecular FormulaC10H8FN5O3
Molecular Weight265.20 g/mol
Exact Mass265.06
IUPAC Name6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine
SMILESCC1(C)Oc2c(F)cc([N+](=O)[O-])cc2-n2nnnc21
InChIInChI=1S/C10H8FN5O3/c1-10(2)9-12-13-14-15(9)7-4-5(16(17)18)3-6(11)8(7)19-10/h3-4H,1-2H3
InChIKeyHCNKORDLBUBHQD-UHFFFAOYSA-N
XLogP1.34
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine?
The IUPAC name of 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine (CID 90437675) is 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine.
What is the SMILES notation for 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine?
The canonical SMILES for 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine is CC1(C)Oc2c(F)cc([N+](=O)[O-])cc2-n2nnnc21.
What is the InChIKey of 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine?
The InChIKey is HCNKORDLBUBHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5O3/c1-10(2)9-12-13-14-15(9)7-4-5(16(17)18)3-6(11)8(7)19-10/h3-4H,1-2H3.
What are the key properties of 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine?
6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine has a molecular weight of 265.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,4-dimethyl-8-nitrotetrazolo[5,1-c][1,4]benzoxazine is sourced from PubChem (CID 90437675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).