1,3-diiodo-2-(trifluoromethoxy)benzene

C7H3F3I2O — CID 151510849

IUPAC1,3-diiodo-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1c(I)cccc1I
InChIInChI=1S/C7H3F3I2O/c8-7(9,10)13-6-4(11)2-1-3-5(6)12/h1-3H
InChIKeyPSLCVLNLBCIIBC-UHFFFAOYSA-N
MW413.90 g/mol
LogP3.79
Rot. Bonds1

About 1,3-diiodo-2-(trifluoromethoxy)benzene

1,3-diiodo-2-(trifluoromethoxy)benzene (PubChem CID 151510849) has the molecular formula C7H3F3I2O and a molecular weight of 413.90 g/mol. Its IUPAC name is 1,3-diiodo-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-diiodo-2-(trifluoromethoxy)benzene
PubChem CID151510849
Molecular FormulaC7H3F3I2O
Molecular Weight413.90 g/mol
Exact Mass413.82
IUPAC Name1,3-diiodo-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1c(I)cccc1I
InChIInChI=1S/C7H3F3I2O/c8-7(9,10)13-6-4(11)2-1-3-5(6)12/h1-3H
InChIKeyPSLCVLNLBCIIBC-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-2-(trifluoromethoxy)benzenethiol
CID 170998267
[3-iodo-2-(trifluoromethoxy)phenyl]hydrazine
CID 118813241
3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 170998343
4-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 119014421
1,3-diiodo-5-[4-(4-methylphenyl)phenyl]-2-(trifluoromethoxy)benzene
CID 144502294
4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118833057
1-iodo-2-nitro-3-(trifluoromethoxy)benzene
CID 118807896
1,3-diiodo-2-methoxybenzene
CID 12610037
2-(difluoromethoxy)-1,3-diiodobenzene
CID 135741218
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene
CID 175686675

Frequently Asked Questions

What is the IUPAC name of 1,3-diiodo-2-(trifluoromethoxy)benzene?
The IUPAC name of 1,3-diiodo-2-(trifluoromethoxy)benzene (CID 151510849) is 1,3-diiodo-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,3-diiodo-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1,3-diiodo-2-(trifluoromethoxy)benzene is FC(F)(F)Oc1c(I)cccc1I.
What is the InChIKey of 1,3-diiodo-2-(trifluoromethoxy)benzene?
The InChIKey is PSLCVLNLBCIIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3I2O/c8-7(9,10)13-6-4(11)2-1-3-5(6)12/h1-3H.
What are the key properties of 1,3-diiodo-2-(trifluoromethoxy)benzene?
1,3-diiodo-2-(trifluoromethoxy)benzene has a molecular weight of 413.90 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodo-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 151510849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).