6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

C17H12ClF3O3 — CID 22638859

IUPAC6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)cc(-c3ccccc3)c2OC1C(F)(F)F
InChIInChI=1S/C17H12ClF3O3/c18-11-6-10-7-13(16(22)23)15(17(19,20)21)24-14(10)12(8-11)9-4-2-1-3-5-9/h1-6,8,13,15H,7H2,(H,22,23)
InChIKeyJXLJHPFCHLPZEH-UHFFFAOYSA-N
MW356.73 g/mol
LogP4.57
Rot. Bonds2

About 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 22638859) has the molecular formula C17H12ClF3O3 and a molecular weight of 356.73 g/mol. Its IUPAC name is 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID22638859
Molecular FormulaC17H12ClF3O3
Molecular Weight356.73 g/mol
Exact Mass356.04
IUPAC Name6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)cc(-c3ccccc3)c2OC1C(F)(F)F
InChIInChI=1S/C17H12ClF3O3/c18-11-6-10-7-13(16(22)23)15(17(19,20)21)24-14(10)12(8-11)9-4-2-1-3-5-9/h1-6,8,13,15H,7H2,(H,22,23)
InChIKeyJXLJHPFCHLPZEH-UHFFFAOYSA-N
XLogP4.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 22638859) is 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1Cc2cc(Cl)cc(-c3ccccc3)c2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is JXLJHPFCHLPZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3O3/c18-11-6-10-7-13(16(22)23)15(17(19,20)21)24-14(10)12(8-11)9-4-2-1-3-5-9/h1-6,8,13,15H,7H2,(H,22,23).
What are the key properties of 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 356.73 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 22638859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).