8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid

C14H14ClF3O3Si — CID 71731734

IUPAC8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid
SMILESC[Si](C)(C)c1cc(Cl)c2c(c1)C=C(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C14H14ClF3O3Si/c1-22(2,3)8-4-7-5-9(13(19)20)12(14(16,17)18)21-11(7)10(15)6-8/h4-6,12H,1-3H3,(H,19,20)
InChIKeyJNPXRYNFQHCWLW-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.68
Rot. Bonds2

About 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid

8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid (PubChem CID 71731734) has the molecular formula C14H14ClF3O3Si and a molecular weight of 350.80 g/mol. Its IUPAC name is 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid
PubChem CID71731734
Molecular FormulaC14H14ClF3O3Si
Molecular Weight350.80 g/mol
Exact Mass350.04
IUPAC Name8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid
SMILESC[Si](C)(C)c1cc(Cl)c2c(c1)C=C(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C14H14ClF3O3Si/c1-22(2,3)8-4-7-5-9(13(19)20)12(14(16,17)18)21-11(7)10(15)6-8/h4-6,12H,1-3H3,(H,19,20)
InChIKeyJNPXRYNFQHCWLW-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,8-dichloro-7-(methylamino)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934941
(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11533484
6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 20601613
6,8-ditert-butyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 10108917
6-bromo-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934890
(2S)-6-chloro-8-ethenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 54232845
5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 154393503
6-chloro-7-(2,2-dimethylpropoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934603
6-chloro-8-[(Z)-hydroxyiminomethyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 87939485
6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 158268069
8-ethyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 118222220
ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate
CID 141319909

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid?
The IUPAC name of 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid (CID 71731734) is 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid?
The canonical SMILES for 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid is C[Si](C)(C)c1cc(Cl)c2c(c1)C=C(C(=O)O)C(C(F)(F)F)O2.
What is the InChIKey of 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid?
The InChIKey is JNPXRYNFQHCWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3O3Si/c1-22(2,3)8-4-7-5-9(13(19)20)12(14(16,17)18)21-11(7)10(15)6-8/h4-6,12H,1-3H3,(H,19,20).
What are the key properties of 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid?
8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid has a molecular weight of 350.80 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 71731734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).