6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C11H5Cl2F3O3 — CID 10267703

IUPAC6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)cc(Cl)c2OC1C(F)(F)F
InChIInChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18)
InChIKeyZFKBWSREWJOSSJ-UHFFFAOYSA-N
MW313.06 g/mol
LogP3.78
Rot. Bonds1

About 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 10267703) has the molecular formula C11H5Cl2F3O3 and a molecular weight of 313.06 g/mol. Its IUPAC name is 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID10267703
Molecular FormulaC11H5Cl2F3O3
Molecular Weight313.06 g/mol
Exact Mass311.96
IUPAC Name6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)cc(Cl)c2OC1C(F)(F)F
InChIInChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18)
InChIKeyZFKBWSREWJOSSJ-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.06
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetyl-6,8-dichlorocoumarin
CID 304833
(2s)-6,8-Dichloro-2-(Trifluoromethyl)-2h-Chromene-3-Carboxylic Acid
CID 9831791
(2r)-6,8-Dichloro-7-(2-Methylpropoxy)-2-(Trifluoromethyl)-2h-Chromene-3-Carboxylic Acid
CID 46926545
6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid
CID 657910
6-chloro-2H-chromene-3-carboxylic acid
CID 596929
6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9795652
6,8-dichloro-7-(cyclopentylmethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9801701
6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9835721
6,8-dichloro-7-(2-ethylbutoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 9909642
8-chloro-6-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9922118
8-chloro-6-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9922659
6,7-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9966560

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 10267703) is 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(Cl)cc(Cl)c2OC1C(F)(F)F.
What is the InChIKey of 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is ZFKBWSREWJOSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18).
What are the key properties of 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 313.06 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 10267703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).