1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene

C8H4F5IO2 — CID 170998457

IUPAC1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
SMILESFC(F)Oc1ccc(I)cc1OC(F)(F)F
InChIInChI=1S/C8H4F5IO2/c9-7(10)15-5-2-1-4(14)3-6(5)16-8(11,12)13/h1-3,7H
InChIKeyDBZOFVPWIPVRJL-UHFFFAOYSA-N
MW354.01 g/mol
LogP3.79
Rot. Bonds3

About 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene

1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene (PubChem CID 170998457) has the molecular formula C8H4F5IO2 and a molecular weight of 354.01 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
PubChem CID170998457
Molecular FormulaC8H4F5IO2
Molecular Weight354.01 g/mol
Exact Mass353.92
IUPAC Name1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
SMILESFC(F)Oc1ccc(I)cc1OC(F)(F)F
InChIInChI=1S/C8H4F5IO2/c9-7(10)15-5-2-1-4(14)3-6(5)16-8(11,12)13/h1-3,7H
InChIKeyDBZOFVPWIPVRJL-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.01
LogP ≤ 53.79
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

4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
1,4-diiodo-2-(trifluoromethoxy)benzene
CID 146764437
[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine
CID 170998587
1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone
CID 170997927
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
methyl 4-(difluoromethoxy)-3-(trifluoromethoxy)benzoate
CID 170997887
3-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propanal
CID 134622006
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
1-chloro-1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-2-one
CID 166640615
3-(difluoromethoxy)-4-(trifluoromethoxy)benzonitrile
CID 121228509
5-iodo-2-(trifluoromethoxy)benzonitrile
CID 121228614
2-(bromomethyl)-4-iodo-1-(trifluoromethoxy)benzene
CID 170997750

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene (CID 170998457) is 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene is FC(F)Oc1ccc(I)cc1OC(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene?
The InChIKey is DBZOFVPWIPVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5IO2/c9-7(10)15-5-2-1-4(14)3-6(5)16-8(11,12)13/h1-3,7H.
What are the key properties of 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene?
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene has a molecular weight of 354.01 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 170998457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).