(2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C13H11F3O3 — CID 124584837

IUPAC(2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1cc2c(cc1C)O[C@@H](C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C13H11F3O3/c1-6-3-8-5-9(12(17)18)11(13(14,15)16)19-10(8)4-7(6)2/h3-5,11H,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyYGHHWVDWCACIRV-LLVKDONJSA-N
MW272.22 g/mol
LogP3.09
Rot. Bonds1

About (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

(2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 124584837) has the molecular formula C13H11F3O3 and a molecular weight of 272.22 g/mol. Its IUPAC name is (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID124584837
Molecular FormulaC13H11F3O3
Molecular Weight272.22 g/mol
Exact Mass272.07
IUPAC Name(2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1cc2c(cc1C)O[C@@H](C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C13H11F3O3/c1-6-3-8-5-9(12(17)18)11(13(14,15)16)19-10(8)4-7(6)2/h3-5,11H,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyYGHHWVDWCACIRV-LLVKDONJSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934607
6-iodo-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934724
(2S)-2-(trifluoromethyl)-2H-benzo[g]chromene-3-carboxylic acid
CID 54085707
ethane;6-ethyl-7-hydroxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 142947320
6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11609224
(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 124673363
6-chloro-7-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142971023
6-chloro-7-propan-2-yl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 10471276
(2S)-6-iodo-7-prop-1-en-2-yl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 70338716
6-sulfanyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 138479110
(2S)-6-bromo-7-methyl-5-(trideuteriomethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 130211302
6-chloro-7-(2,4-dichloro-6-methylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11430936

Frequently Asked Questions

What is the IUPAC name of (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 124584837) is (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is Cc1cc2c(cc1C)O[C@@H](C(F)(F)F)C(C(=O)O)=C2.
What is the InChIKey of (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is YGHHWVDWCACIRV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11F3O3/c1-6-3-8-5-9(12(17)18)11(13(14,15)16)19-10(8)4-7(6)2/h3-5,11H,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
(2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 272.22 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 124584837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).