[2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium

C6H4F3Tl — CID 19796823

IUPAC[2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium
SMILESFC(F)(F)C1=C([Tl])CC=C1
InChIInChI=1S/C6H4F3.Tl/c7-6(8,9)5-3-1-2-4-5;/h1,3H,2H2;
InChIKeyHKEIUVONZOYNDE-UHFFFAOYSA-N
MW337.48 g/mol
LogP1.93
Rot. Bonds

About [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium

[2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium (PubChem CID 19796823) has the molecular formula C6H4F3Tl and a molecular weight of 337.48 g/mol. Its IUPAC name is [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium.

Molecular Properties

Compound Name[2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium
PubChem CID19796823
Molecular FormulaC6H4F3Tl
Molecular Weight337.48 g/mol
Exact Mass338.00
IUPAC Name[2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium
SMILESFC(F)(F)C1=C([Tl])CC=C1
InChIInChI=1S/C6H4F3.Tl/c7-6(8,9)5-3-1-2-4-5;/h1,3H,2H2;
InChIKeyHKEIUVONZOYNDE-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(Trifluoromethyl)cyclopenta-1,3-diene
CID 21188888
Lithium, [3-(trifluoromethyl)phenyl]-
CID 10909751
Lithium, [4-(trifluoromethyl)phenyl]-
CID 11051849
5-(Trifluoromethyl)-1,3-cyclopentadiene
CID 11987448
Lithium 2-(trifluoromethyl)benzen-1-ide
CID 12434981
CID 15580181
CID 15580181
2-(Trifluoromethyl)cyclopenta-1,3-diene
CID 17775240
5-(2,2,2-Trifluoroethylidene)cyclopenta-1,3-diene
CID 85815320
Trifluoroethylvinylethen
CID 129821823
1,3-Cyclopentadiene, 5,5-difluoro-
CID 10034589
5-(Difluoromethylidene)cyclopenta-1,3-diene
CID 13428390
[1-(Trifluoromethyl)cyclopenta-2,4-dien-1-yl]thallium
CID 85531870

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium?
The IUPAC name of [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium (CID 19796823) is [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium.
What is the SMILES notation for [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium?
The canonical SMILES for [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium is FC(F)(F)C1=C([Tl])CC=C1.
What is the InChIKey of [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium?
The InChIKey is HKEIUVONZOYNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3.Tl/c7-6(8,9)5-3-1-2-4-5;/h1,3H,2H2;.
What are the key properties of [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium?
[2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium has a molecular weight of 337.48 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)cyclopenta-1,3-dien-1-yl]thallium is sourced from PubChem (CID 19796823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).