1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene

C7H3F3I2O — CID 118836171

IUPAC1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene
SMILESFc1ccc(OC(F)F)c(I)c1I
InChIInChI=1S/C7H3F3I2O/c8-3-1-2-4(13-7(9)10)6(12)5(3)11/h1-2,7H
InChIKeyMCRSTKYJTXGQTG-UHFFFAOYSA-N
MW413.90 g/mol
LogP3.64
Rot. Bonds2

About 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene

1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene (PubChem CID 118836171) has the molecular formula C7H3F3I2O and a molecular weight of 413.90 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene
PubChem CID118836171
Molecular FormulaC7H3F3I2O
Molecular Weight413.90 g/mol
Exact Mass413.82
IUPAC Name1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene
SMILESFc1ccc(OC(F)F)c(I)c1I
InChIInChI=1S/C7H3F3I2O/c8-3-1-2-4(13-7(9)10)6(12)5(3)11/h1-2,7H
InChIKeyMCRSTKYJTXGQTG-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene 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-[3-(difluoromethoxy)-6-fluoro-2-iodophenyl]ethanone
CID 131575535
[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine
CID 130934033
[6-(difluoromethoxy)-2,3-difluorophenyl]methanamine
CID 130837574
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene
CID 118819083
2-(difluoromethoxy)-3-fluoro-6-iodopyridine
CID 119020596
4-(difluoromethoxy)-3-fluoropyridine
CID 121231957
1-[6-bromo-3-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131597792
1-(difluoromethoxy)-2-iodo-4-methylbenzene
CID 118823118
2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
CID 118819202
5-chloro-2-(difluoromethoxy)benzenethiol
CID 130775302

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene?
The IUPAC name of 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene (CID 118836171) is 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene is Fc1ccc(OC(F)F)c(I)c1I.
What is the InChIKey of 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene?
The InChIKey is MCRSTKYJTXGQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3I2O/c8-3-1-2-4(13-7(9)10)6(12)5(3)11/h1-2,7H.
What are the key properties of 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene?
1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene has a molecular weight of 413.90 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene is sourced from PubChem (CID 118836171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).