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

C12H8ClF3O3 — CID 11533484

IUPAC(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1cc(Cl)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C12H8ClF3O3/c1-5-2-7(13)3-6-4-8(11(17)18)10(12(14,15)16)19-9(5)6/h2-4,10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyNONBXOPYDWLZGR-SNVBAGLBSA-N
MW292.64 g/mol
LogP3.44
Rot. Bonds1

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

(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 11533484) has the molecular formula C12H8ClF3O3 and a molecular weight of 292.64 g/mol. Its IUPAC name is (2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID11533484
Molecular FormulaC12H8ClF3O3
Molecular Weight292.64 g/mol
Exact Mass292.01
IUPAC Name(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1cc(Cl)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C12H8ClF3O3/c1-5-2-7(13)3-6-4-8(11(17)18)10(12(14,15)16)19-9(5)6/h2-4,10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyNONBXOPYDWLZGR-SNVBAGLBSA-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 (2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of (2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 11533484) is (2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for (2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for (2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is Cc1cc(Cl)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2.
What is the InChIKey of (2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is NONBXOPYDWLZGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H8ClF3O3/c1-5-2-7(13)3-6-4-8(11(17)18)10(12(14,15)16)19-9(5)6/h2-4,10H,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
(2R)-6-chloro-8-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 (2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11533484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).