[difluoro-(4-methylphenyl)methyl]thallium

C8H7F2Tl — CID 153168176

IUPAC[difluoro-(4-methylphenyl)methyl]thallium
SMILESCc1ccc(C(F)(F)[Tl])cc1
InChIInChI=1S/C8H7F2.Tl/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3;
InChIKeyWDRCQIPEDKJKGN-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.21
Rot. Bonds1

About [difluoro-(4-methylphenyl)methyl]thallium

[difluoro-(4-methylphenyl)methyl]thallium (PubChem CID 153168176) has the molecular formula C8H7F2Tl and a molecular weight of 345.52 g/mol. Its IUPAC name is [difluoro-(4-methylphenyl)methyl]thallium.

Molecular Properties

Compound Name[difluoro-(4-methylphenyl)methyl]thallium
PubChem CID153168176
Molecular FormulaC8H7F2Tl
Molecular Weight345.52 g/mol
Exact Mass346.03
IUPAC Name[difluoro-(4-methylphenyl)methyl]thallium
SMILESCc1ccc(C(F)(F)[Tl])cc1
InChIInChI=1S/C8H7F2.Tl/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3;
InChIKeyWDRCQIPEDKJKGN-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
1-fluoro-1-(4-methylphenyl)ethanethiol
CID 145074057
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene
CID 22261761
1-tert-butyl-4-methylbenzene
CID 163486601
dichloro(difluoro)methane;1,4-xylene
CID 161479390
1-methyl-4-[2,2,2-trifluoro-1-iodo-1-(4-methylphenyl)ethyl]benzene
CID 144855908
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 157463661
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916

Frequently Asked Questions

What is the IUPAC name of [difluoro-(4-methylphenyl)methyl]thallium?
The IUPAC name of [difluoro-(4-methylphenyl)methyl]thallium (CID 153168176) is [difluoro-(4-methylphenyl)methyl]thallium.
What is the SMILES notation for [difluoro-(4-methylphenyl)methyl]thallium?
The canonical SMILES for [difluoro-(4-methylphenyl)methyl]thallium is Cc1ccc(C(F)(F)[Tl])cc1.
What is the InChIKey of [difluoro-(4-methylphenyl)methyl]thallium?
The InChIKey is WDRCQIPEDKJKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2.Tl/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3;.
What are the key properties of [difluoro-(4-methylphenyl)methyl]thallium?
[difluoro-(4-methylphenyl)methyl]thallium has a molecular weight of 345.52 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-(4-methylphenyl)methyl]thallium is sourced from PubChem (CID 153168176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).