dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane

C9H10F3IO — CID 162561670

IUPACdimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane
SMILESCI(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3IO/c1-13(2)7-3-5-8(6-4-7)14-9(10,11)12/h3-6H,1-2H3
InChIKeyMOCRSFVFQWPGPA-UHFFFAOYSA-N
MW318.08 g/mol
LogP3.52
Rot. Bonds2

About dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane

dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane (PubChem CID 162561670) has the molecular formula C9H10F3IO and a molecular weight of 318.08 g/mol. Its IUPAC name is dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane.

Molecular Properties

Compound Namedimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane
PubChem CID162561670
Molecular FormulaC9H10F3IO
Molecular Weight318.08 g/mol
Exact Mass317.97
IUPAC Namedimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane
SMILESCI(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3IO/c1-13(2)7-3-5-8(6-4-7)14-9(10,11)12/h3-6H,1-2H3
InChIKeyMOCRSFVFQWPGPA-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.08
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
1-[(Z)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 153000469
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
tris[4-(trifluoromethoxy)phenyl] phosphate
CID 169101115
trifluoromethoxybenzene
CID 157402708
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
3-methyl-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 122475705

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane?
The IUPAC name of dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane (CID 162561670) is dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane.
What is the SMILES notation for dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane?
The canonical SMILES for dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane is CI(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane?
The InChIKey is MOCRSFVFQWPGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3IO/c1-13(2)7-3-5-8(6-4-7)14-9(10,11)12/h3-6H,1-2H3.
What are the key properties of dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane?
dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane has a molecular weight of 318.08 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane is sourced from PubChem (CID 162561670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).