1,4-diiodo-2-(trifluoromethoxy)benzene

C7H3F3I2O — CID 146764437

IUPAC1,4-diiodo-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(I)ccc1I
InChIInChI=1S/C7H3F3I2O/c8-7(9,10)13-6-3-4(11)1-2-5(6)12/h1-3H
InChIKeyRQGHCMSOAKBQRT-UHFFFAOYSA-N
MW413.90 g/mol
LogP3.79
Rot. Bonds1

About 1,4-diiodo-2-(trifluoromethoxy)benzene

1,4-diiodo-2-(trifluoromethoxy)benzene (PubChem CID 146764437) has the molecular formula C7H3F3I2O and a molecular weight of 413.90 g/mol. Its IUPAC name is 1,4-diiodo-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,4-diiodo-2-(trifluoromethoxy)benzene
PubChem CID146764437
Molecular FormulaC7H3F3I2O
Molecular Weight413.90 g/mol
Exact Mass413.82
IUPAC Name1,4-diiodo-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(I)ccc1I
InChIInChI=1S/C7H3F3I2O/c8-7(9,10)13-6-3-4(11)1-2-5(6)12/h1-3H
InChIKeyRQGHCMSOAKBQRT-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

4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
1-iodo-4-methoxy-2-(trifluoromethoxy)benzene
CID 53415973
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457
1-[4-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 170909672
2-[4-iodo-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998285
5-iodo-2-(trifluoromethoxy)benzonitrile
CID 121228614
2-(bromomethyl)-4-iodo-1-(trifluoromethoxy)benzene
CID 170997750
1,4-diiodo-2-methoxybenzene
CID 23154690
1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
CID 118841669
5-iodo-2-(trifluoromethoxy)benzenesulfonamide
CID 170998338
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972

Frequently Asked Questions

What is the IUPAC name of 1,4-diiodo-2-(trifluoromethoxy)benzene?
The IUPAC name of 1,4-diiodo-2-(trifluoromethoxy)benzene (CID 146764437) is 1,4-diiodo-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,4-diiodo-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1,4-diiodo-2-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(I)ccc1I.
What is the InChIKey of 1,4-diiodo-2-(trifluoromethoxy)benzene?
The InChIKey is RQGHCMSOAKBQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3I2O/c8-7(9,10)13-6-3-4(11)1-2-5(6)12/h1-3H.
What are the key properties of 1,4-diiodo-2-(trifluoromethoxy)benzene?
1,4-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 1,4-diiodo-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 146764437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).