(2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C13H10ClF3O3 — CID 10425292

IUPAC(2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1cc2c(c(C)c1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2
InChIInChI=1S/C13H10ClF3O3/c1-5-3-9-7(6(2)10(5)14)4-8(12(18)19)11(20-9)13(15,16)17/h3-4,11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyUNEVTVWOSGJGLU-NSHDSACASA-N
MW306.67 g/mol
LogP3.75
Rot. Bonds1

About (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

(2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 10425292) has the molecular formula C13H10ClF3O3 and a molecular weight of 306.67 g/mol. Its IUPAC name is (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID10425292
Molecular FormulaC13H10ClF3O3
Molecular Weight306.67 g/mol
Exact Mass306.03
IUPAC Name(2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1cc2c(c(C)c1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2
InChIInChI=1S/C13H10ClF3O3/c1-5-3-9-7(6(2)10(5)14)4-8(12(18)19)11(20-9)13(15,16)17/h3-4,11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyUNEVTVWOSGJGLU-NSHDSACASA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 10425292) is (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is Cc1cc2c(c(C)c1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2.
What is the InChIKey of (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is UNEVTVWOSGJGLU-NSHDSACASA-N. The full InChI is InChI=1S/C13H10ClF3O3/c1-5-3-9-7(6(2)10(5)14)4-8(12(18)19)11(20-9)13(15,16)17/h3-4,11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
(2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 306.67 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 10425292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).