4-chloro-8-(trifluoromethyl)chromenylium

C10H5ClF3O+ — CID 142446407

IUPAC4-chloro-8-(trifluoromethyl)chromenylium
SMILESFC(F)(F)c1cccc2c(Cl)cc[o+]c12
InChIInChI=1S/C10H5ClF3O/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H/q+1
InChIKeyMGQRJONHJCTSJB-UHFFFAOYSA-N
MW233.60 g/mol
LogP4.39
Rot. Bonds

About 4-chloro-8-(trifluoromethyl)chromenylium

4-chloro-8-(trifluoromethyl)chromenylium (PubChem CID 142446407) has the molecular formula C10H5ClF3O+ and a molecular weight of 233.60 g/mol. Its IUPAC name is 4-chloro-8-(trifluoromethyl)chromenylium.

Molecular Properties

Compound Name4-chloro-8-(trifluoromethyl)chromenylium
PubChem CID142446407
Molecular FormulaC10H5ClF3O+
Molecular Weight233.60 g/mol
Exact Mass233.00
IUPAC Name4-chloro-8-(trifluoromethyl)chromenylium
SMILESFC(F)(F)c1cccc2c(Cl)cc[o+]c12
InChIInChI=1S/C10H5ClF3O/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H/q+1
InChIKeyMGQRJONHJCTSJB-UHFFFAOYSA-N
XLogP4.39
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.60
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-1-benzofuran
CID 90013
6-Chloro-1-benzofuran
CID 17842438
3-(4-Chlorophenyl)-1-benzofuran
CID 20330176
1-Benzopyrylium
CID 9548823
7-(Chloromethyl)-1-benzofuran
CID 22413365
6-Chloro-7-fluoro-1-benzofuran
CID 104246104
2-(3-Chlorophenyl)-3-(trifluoromethyl)-1-benzofuran
CID 71419982
2-(4-Chlorophenyl)-3-(trifluoromethyl)-1-benzofuran
CID 71419985
3-(4-Chlorophenyl)-5-fluoro-1-benzofuran
CID 135075530
3-Phenyl-6-chloro-benzofuran
CID 615040
5-Chloro-3-methylbenzofuran
CID 11423797
Furane, 2-(2-chloro-5-trifluoromethylphenyl)-
CID 610202

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(trifluoromethyl)chromenylium?
The IUPAC name of 4-chloro-8-(trifluoromethyl)chromenylium (CID 142446407) is 4-chloro-8-(trifluoromethyl)chromenylium.
What is the SMILES notation for 4-chloro-8-(trifluoromethyl)chromenylium?
The canonical SMILES for 4-chloro-8-(trifluoromethyl)chromenylium is FC(F)(F)c1cccc2c(Cl)cc[o+]c12.
What is the InChIKey of 4-chloro-8-(trifluoromethyl)chromenylium?
The InChIKey is MGQRJONHJCTSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3O/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H/q+1.
What are the key properties of 4-chloro-8-(trifluoromethyl)chromenylium?
4-chloro-8-(trifluoromethyl)chromenylium has a molecular weight of 233.60 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(trifluoromethyl)chromenylium is sourced from PubChem (CID 142446407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).