[3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane

C9H9F4I — CID 162581560

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane
SMILESCI(C)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4I/c1-14(2)6-3-4-7(8(10)5-6)9(11,12)13/h3-5H,1-2H3
InChIKeyORPVJXYGJDRDME-UHFFFAOYSA-N
MW320.07 g/mol
LogP3.78
Rot. Bonds1

About [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane

[3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane (PubChem CID 162581560) has the molecular formula C9H9F4I and a molecular weight of 320.07 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane
PubChem CID162581560
Molecular FormulaC9H9F4I
Molecular Weight320.07 g/mol
Exact Mass319.97
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane
SMILESCI(C)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4I/c1-14(2)6-3-4-7(8(10)5-6)9(11,12)13/h3-5H,1-2H3
InChIKeyORPVJXYGJDRDME-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.07
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
2-fluoro-4-iodo-1-(trifluoromethyl)benzene
CID 2737343
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride
CID 155973042
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287051
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
[3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite
CID 135159916
2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde
CID 107289665
4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 122488012
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142344458

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane (CID 162581560) is [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane is CI(C)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane?
The InChIKey is ORPVJXYGJDRDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4I/c1-14(2)6-3-4-7(8(10)5-6)9(11,12)13/h3-5H,1-2H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane?
[3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane has a molecular weight of 320.07 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane is sourced from PubChem (CID 162581560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).