7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

C11H8BrF3O3 — CID 22638867

IUPAC7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1Cc2ccc(Br)cc2OC1C(F)(F)F
InChIInChI=1S/C11H8BrF3O3/c12-6-2-1-5-3-7(10(16)17)9(11(13,14)15)18-8(5)4-6/h1-2,4,7,9H,3H2,(H,16,17)
InChIKeyDTZCMAYCOKDKQQ-UHFFFAOYSA-N
MW325.08 g/mol
LogP3.02
Rot. Bonds1

About 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 22638867) has the molecular formula C11H8BrF3O3 and a molecular weight of 325.08 g/mol. Its IUPAC name is 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID22638867
Molecular FormulaC11H8BrF3O3
Molecular Weight325.08 g/mol
Exact Mass323.96
IUPAC Name7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1Cc2ccc(Br)cc2OC1C(F)(F)F
InChIInChI=1S/C11H8BrF3O3/c12-6-2-1-5-3-7(10(16)17)9(11(13,14)15)18-8(5)4-6/h1-2,4,7,9H,3H2,(H,16,17)
InChIKeyDTZCMAYCOKDKQQ-UHFFFAOYSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.08
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-2-(trifluoromethyl)-3,4-dihydro-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

Related Compounds

(2R,3R)-7-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 125449537
7-phenoxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22639021
6-bromo-8-fluoro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22638913
6-(4-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22638982
6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22638889
6-chloro-7-ethynyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22638948
6-(2-phenylethynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22638857
6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 173469821
6-chloro-7-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22639037
(2S,3R)-5,6,7-trichloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 10269293
6-chloro-7-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22639049
6-chloro-7-[(4,6-dichloro-2-pyridinyl)oxy]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22639052

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 22638867) is 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1Cc2ccc(Br)cc2OC1C(F)(F)F.
What is the InChIKey of 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is DTZCMAYCOKDKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3O3/c12-6-2-1-5-3-7(10(16)17)9(11(13,14)15)18-8(5)4-6/h1-2,4,7,9H,3H2,(H,16,17).
What are the key properties of 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 325.08 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 22638867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).