2-fluoro-5-iodo-1,3-benzoxazole

C7H3FINO — CID 130787084

IUPAC2-fluoro-5-iodo-1,3-benzoxazole
SMILESFc1nc2cc(I)ccc2o1
InChIInChI=1S/C7H3FINO/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H
InChIKeyXBJXQACPTOWCTI-UHFFFAOYSA-N
MW263.01 g/mol
LogP2.57
Rot. Bonds

About 2-fluoro-5-iodo-1,3-benzoxazole

2-fluoro-5-iodo-1,3-benzoxazole (PubChem CID 130787084) has the molecular formula C7H3FINO and a molecular weight of 263.01 g/mol. Its IUPAC name is 2-fluoro-5-iodo-1,3-benzoxazole.

Molecular Properties

Compound Name2-fluoro-5-iodo-1,3-benzoxazole
PubChem CID130787084
Molecular FormulaC7H3FINO
Molecular Weight263.01 g/mol
Exact Mass262.92
IUPAC Name2-fluoro-5-iodo-1,3-benzoxazole
SMILESFc1nc2cc(I)ccc2o1
InChIInChI=1S/C7H3FINO/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H
InChIKeyXBJXQACPTOWCTI-UHFFFAOYSA-N
XLogP2.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.01
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958
2-fluoro-5-nitro-1,3-benzoxazole
CID 130967387
2-chloro-1-(2-fluoro-1,3-benzoxazol-5-yl)ethanone
CID 130967524
3,6-diiodoacridine
CID 634773
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
CID 91681454
2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde
CID 91681455
4-iodo-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696756
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,5-diiodobenzamide
CID 46495888
N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
CID 91682505
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodo-1,3-benzoxazole?
The IUPAC name of 2-fluoro-5-iodo-1,3-benzoxazole (CID 130787084) is 2-fluoro-5-iodo-1,3-benzoxazole.
What is the SMILES notation for 2-fluoro-5-iodo-1,3-benzoxazole?
The canonical SMILES for 2-fluoro-5-iodo-1,3-benzoxazole is Fc1nc2cc(I)ccc2o1.
What is the InChIKey of 2-fluoro-5-iodo-1,3-benzoxazole?
The InChIKey is XBJXQACPTOWCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FINO/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H.
What are the key properties of 2-fluoro-5-iodo-1,3-benzoxazole?
2-fluoro-5-iodo-1,3-benzoxazole has a molecular weight of 263.01 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodo-1,3-benzoxazole is sourced from PubChem (CID 130787084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).