4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine

C10H5F2N3O3 — CID 54378488

IUPAC4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine
SMILESO=[N+]([O-])c1ccc2c(c1)OC(F)(F)c1nccn1-2
InChIInChI=1S/C10H5F2N3O3/c11-10(12)9-13-3-4-14(9)7-2-1-6(15(16)17)5-8(7)18-10/h1-5H
InChIKeyUYGJHNXSTYHNCH-UHFFFAOYSA-N
MW253.16 g/mol
LogP2.22
Rot. Bonds1

About 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine

4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine (PubChem CID 54378488) has the molecular formula C10H5F2N3O3 and a molecular weight of 253.16 g/mol. Its IUPAC name is 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine
PubChem CID54378488
Molecular FormulaC10H5F2N3O3
Molecular Weight253.16 g/mol
Exact Mass253.03
IUPAC Name4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine
SMILESO=[N+]([O-])c1ccc2c(c1)OC(F)(F)c1nccn1-2
InChIInChI=1S/C10H5F2N3O3/c11-10(12)9-13-3-4-14(9)7-2-1-6(15(16)17)5-8(7)18-10/h1-5H
InChIKeyUYGJHNXSTYHNCH-UHFFFAOYSA-N
XLogP2.22
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

4-nitro-1-{3-(trifluoromethoxy)phenyl}-1H-imidazole
CID 53231651
4-nitro-1-{2-(trifluoromethoxy)phenyl}-1H-imidazole
CID 52953341
(NZ)-N-(4H-imidazo[2,1-c][1,4]benzoxazin-2-ylmethylidene)hydroxylamine
CID 44268731
CID 118733085
CID 118733085
4H-Imidazo[2,1-c][1,4]benzoxazine
CID 341428
N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine
CID 75390778
4,4-Difluoroimidazo[2,1-c][1,4]benzoxazin-7-amine
CID 53813677
N-[(2R)-3-[(4,4-difluoroimidazo[2,1-c][1,4]benzoxazin-7-yl)amino]-2-hydroxypropyl]acetamide
CID 54096651
4-Methyl-1-[4-nitro-3-(trifluoromethoxy)phenyl]imidazole
CID 57732474
1-[2-nitro-4-(trifluoromethoxy)phenyl]-1H-imidazole
CID 59333320
4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)-1H-imidazole
CID 66858143
4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)-1H-imidazole
CID 66859203

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine (CID 54378488) is 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine is O=[N+]([O-])c1ccc2c(c1)OC(F)(F)c1nccn1-2.
What is the InChIKey of 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine?
The InChIKey is UYGJHNXSTYHNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3O3/c11-10(12)9-13-3-4-14(9)7-2-1-6(15(16)17)5-8(7)18-10/h1-5H.
What are the key properties of 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine?
4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine has a molecular weight of 253.16 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-7-nitroimidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 54378488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).