7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C11H5BrClF3O3 — CID 23531095

IUPAC7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)c(Br)cc2OC1C(F)(F)F
InChIInChI=1S/C11H5BrClF3O3/c12-6-3-8-4(2-7(6)13)1-5(10(17)18)9(19-8)11(14,15)16/h1-3,9H,(H,17,18)
InChIKeyVOEOQYUTLJCDPO-UHFFFAOYSA-N
MW357.51 g/mol
LogP3.89
Rot. Bonds1

About 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 23531095) has the molecular formula C11H5BrClF3O3 and a molecular weight of 357.51 g/mol. Its IUPAC name is 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID23531095
Molecular FormulaC11H5BrClF3O3
Molecular Weight357.51 g/mol
Exact Mass355.91
IUPAC Name7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)c(Br)cc2OC1C(F)(F)F
InChIInChI=1S/C11H5BrClF3O3/c12-6-3-8-4(2-7(6)13)1-5(10(17)18)9(19-8)11(14,15)16/h1-3,9H,(H,17,18)
InChIKeyVOEOQYUTLJCDPO-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 23531095) is 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(Cl)c(Br)cc2OC1C(F)(F)F.
What is the InChIKey of 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is VOEOQYUTLJCDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3O3/c12-6-3-8-4(2-7(6)13)1-5(10(17)18)9(19-8)11(14,15)16/h1-3,9H,(H,17,18).
What are the key properties of 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 357.51 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 23531095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).