6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C17H10ClF3O3 — CID 10155121

IUPAC6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)c2cc(Cl)ccc2OC1C(F)(F)F
InChIInChI=1S/C17H10ClF3O3/c18-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(16(22)23)15(24-12)17(19,20)21/h1-8,15H,(H,22,23)
InChIKeyOQLFETWYMAJDSQ-UHFFFAOYSA-N
MW354.71 g/mol
LogP4.55
Rot. Bonds2

About 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 10155121) has the molecular formula C17H10ClF3O3 and a molecular weight of 354.71 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID10155121
Molecular FormulaC17H10ClF3O3
Molecular Weight354.71 g/mol
Exact Mass354.03
IUPAC Name6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)c2cc(Cl)ccc2OC1C(F)(F)F
InChIInChI=1S/C17H10ClF3O3/c18-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(16(22)23)15(24-12)17(19,20)21/h1-8,15H,(H,22,23)
InChIKeyOQLFETWYMAJDSQ-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.71
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 10155121) is 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=C(c2ccccc2)c2cc(Cl)ccc2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is OQLFETWYMAJDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3O3/c18-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(16(22)23)15(24-12)17(19,20)21/h1-8,15H,(H,22,23).
What are the key properties of 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 354.71 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 10155121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).