1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene

C7H3Cl2F2IO — CID 118807817

IUPAC1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
SMILESFC(F)Oc1c(Cl)ccc(Cl)c1I
InChIInChI=1S/C7H3Cl2F2IO/c8-3-1-2-4(9)6(5(3)12)13-7(10)11/h1-2,7H
InChIKeyXEIILGGUKZWOOW-UHFFFAOYSA-N
MW338.91 g/mol
LogP4.20
Rot. Bonds2

About 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene

1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene (PubChem CID 118807817) has the molecular formula C7H3Cl2F2IO and a molecular weight of 338.91 g/mol. Its IUPAC name is 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene.

Molecular Properties

Compound Name1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
PubChem CID118807817
Molecular FormulaC7H3Cl2F2IO
Molecular Weight338.91 g/mol
Exact Mass337.86
IUPAC Name1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
SMILESFC(F)Oc1c(Cl)ccc(Cl)c1I
InChIInChI=1S/C7H3Cl2F2IO/c8-3-1-2-4(9)6(5(3)12)13-7(10)11/h1-2,7H
InChIKeyXEIILGGUKZWOOW-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
CID 130836038
3,6-dichloro-2-(difluoromethoxy)benzaldehyde
CID 121228177
2,4-dichloro-3-(difluoromethoxy)benzonitrile
CID 119009629
1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene
CID 166584162
1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene
CID 171004207
2-(difluoromethoxy)-1,3-diiodobenzene
CID 135741218
1,4-dibromo-2-(difluoromethoxy)-3-iodobenzene
CID 118813499
2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253
1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
CID 118849408
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
5-chloro-4-(difluoromethoxy)-1-hydroxy-3H-2,1-benzoxaborole
CID 142601923
4-chloro-3-(difluoromethoxy)-2-methylpyridine
CID 18629352

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene?
The IUPAC name of 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene (CID 118807817) is 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene.
What is the SMILES notation for 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene?
The canonical SMILES for 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene is FC(F)Oc1c(Cl)ccc(Cl)c1I.
What is the InChIKey of 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene?
The InChIKey is XEIILGGUKZWOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2IO/c8-3-1-2-4(9)6(5(3)12)13-7(10)11/h1-2,7H.
What are the key properties of 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene?
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene has a molecular weight of 338.91 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene is sourced from PubChem (CID 118807817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).