6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C12H8ClF3O3 — CID 11150512

IUPAC6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1c(Cl)ccc2c1C=C(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C12H8ClF3O3/c1-5-6-4-7(11(17)18)10(12(14,15)16)19-9(6)3-2-8(5)13/h2-4,10H,1H3,(H,17,18)
InChIKeyZHRMSIDYCXFKFH-UHFFFAOYSA-N
MW292.64 g/mol
LogP3.44
Rot. Bonds1

About 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 11150512) has the molecular formula C12H8ClF3O3 and a molecular weight of 292.64 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID11150512
Molecular FormulaC12H8ClF3O3
Molecular Weight292.64 g/mol
Exact Mass292.01
IUPAC Name6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1c(Cl)ccc2c1C=C(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C12H8ClF3O3/c1-5-6-4-7(11(17)18)10(12(14,15)16)19-9(6)3-2-8(5)13/h2-4,10H,1H3,(H,17,18)
InChIKeyZHRMSIDYCXFKFH-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 11150512) is 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is Cc1c(Cl)ccc2c1C=C(C(=O)O)C(C(F)(F)F)O2.
What is the InChIKey of 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is ZHRMSIDYCXFKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3O3/c1-5-6-4-7(11(17)18)10(12(14,15)16)19-9(6)3-2-8(5)13/h2-4,10H,1H3,(H,17,18).
What are the key properties of 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 292.64 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11150512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).