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

C15H14ClF3O3 — CID 53325873

IUPAC(2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2
InChIInChI=1S/C15H14ClF3O3/c1-7(2)3-8-6-12-9(5-11(8)16)4-10(14(20)21)13(22-12)15(17,18)19/h4-7,13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyVFGSNLRSCYUGNT-ZDUSSCGKSA-N
MW334.72 g/mol
LogP4.33
Rot. Bonds3

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

(2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 53325873) has the molecular formula C15H14ClF3O3 and a molecular weight of 334.72 g/mol. Its IUPAC name is (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID53325873
Molecular FormulaC15H14ClF3O3
Molecular Weight334.72 g/mol
Exact Mass334.06
IUPAC Name(2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2
InChIInChI=1S/C15H14ClF3O3/c1-7(2)3-8-6-12-9(5-11(8)16)4-10(14(20)21)13(22-12)15(17,18)19/h4-7,13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyVFGSNLRSCYUGNT-ZDUSSCGKSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 53325873) is (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is CC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2.
What is the InChIKey of (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is VFGSNLRSCYUGNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClF3O3/c1-7(2)3-8-6-12-9(5-11(8)16)4-10(14(20)21)13(22-12)15(17,18)19/h4-7,13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
(2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 334.72 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 53325873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).