1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene

C12H6F3I — CID 134630207

IUPAC1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene
SMILESFc1ccc(I)cc1-c1cccc(F)c1F
InChIInChI=1S/C12H6F3I/c13-10-5-4-7(16)6-9(10)8-2-1-3-11(14)12(8)15/h1-6H
InChIKeyVFGFJAARVYRFDW-UHFFFAOYSA-N
MW334.08 g/mol
LogP4.38
Rot. Bonds1

About 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene

1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene (PubChem CID 134630207) has the molecular formula C12H6F3I and a molecular weight of 334.08 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene
PubChem CID134630207
Molecular FormulaC12H6F3I
Molecular Weight334.08 g/mol
Exact Mass333.95
IUPAC Name1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene
SMILESFc1ccc(I)cc1-c1cccc(F)c1F
InChIInChI=1S/C12H6F3I/c13-10-5-4-7(16)6-9(10)8-2-1-3-11(14)12(8)15/h1-6H
InChIKeyVFGFJAARVYRFDW-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.08
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol
CID 170453866
3-fluoro-2-(2-fluoro-5-iodophenyl)benzonitrile
CID 58349892
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]acetic acid
CID 134630574
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
2,6-bis(2,3-difluorophenyl)-4-fluoropyridine
CID 133088897
1,2-difluoro-4-iodobenzene
CID 2724444
4-(2,3-difluorophenyl)-5-fluoro-2-methylaniline
CID 171916628
CID 88897782
CID 88897782
1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
CID 169173470

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene?
The IUPAC name of 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene (CID 134630207) is 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene is Fc1ccc(I)cc1-c1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene?
The InChIKey is VFGFJAARVYRFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3I/c13-10-5-4-7(16)6-9(10)8-2-1-3-11(14)12(8)15/h1-6H.
What are the key properties of 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene?
1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene has a molecular weight of 334.08 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene is sourced from PubChem (CID 134630207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).