1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene

C8H7BrFIO2 — CID 164892587

IUPAC1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene
SMILESCOCOc1c(Br)ccc(F)c1I
InChIInChI=1S/C8H7BrFIO2/c1-12-4-13-8-5(9)2-3-6(10)7(8)11/h2-3H,4H2,1H3
InChIKeyXAPCFTQNFINEPL-UHFFFAOYSA-N
MW360.95 g/mol
LogP3.18
Rot. Bonds3

About 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene

1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene (PubChem CID 164892587) has the molecular formula C8H7BrFIO2 and a molecular weight of 360.95 g/mol. Its IUPAC name is 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene
PubChem CID164892587
Molecular FormulaC8H7BrFIO2
Molecular Weight360.95 g/mol
Exact Mass359.87
IUPAC Name1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene
SMILESCOCOc1c(Br)ccc(F)c1I
InChIInChI=1S/C8H7BrFIO2/c1-12-4-13-8-5(9)2-3-6(10)7(8)11/h2-3H,4H2,1H3
InChIKeyXAPCFTQNFINEPL-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.95
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene
CID 130714606
1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene
CID 171367766
3-bromo-6-methoxy-2-(methoxymethoxy)phenol
CID 67466846
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412
1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
CID 142560015
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene
CID 65364520
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene?
The IUPAC name of 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene (CID 164892587) is 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene.
What is the SMILES notation for 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene?
The canonical SMILES for 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene is COCOc1c(Br)ccc(F)c1I.
What is the InChIKey of 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene?
The InChIKey is XAPCFTQNFINEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFIO2/c1-12-4-13-8-5(9)2-3-6(10)7(8)11/h2-3H,4H2,1H3.
What are the key properties of 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene?
1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene has a molecular weight of 360.95 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene is sourced from PubChem (CID 164892587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).