6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C17H9ClF4O3 — CID 53316516

IUPAC6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)cc(-c3ccc(F)cc3)c2OC1C(F)(F)F
InChIInChI=1S/C17H9ClF4O3/c18-10-5-9-6-13(16(23)24)15(17(20,21)22)25-14(9)12(7-10)8-1-3-11(19)4-2-8/h1-7,15H,(H,23,24)
InChIKeyJJWCCMOALVRLLA-UHFFFAOYSA-N
MW372.70 g/mol
LogP4.94
Rot. Bonds2

About 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 53316516) has the molecular formula C17H9ClF4O3 and a molecular weight of 372.70 g/mol. Its IUPAC name is 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID53316516
Molecular FormulaC17H9ClF4O3
Molecular Weight372.70 g/mol
Exact Mass372.02
IUPAC Name6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)cc(-c3ccc(F)cc3)c2OC1C(F)(F)F
InChIInChI=1S/C17H9ClF4O3/c18-10-5-9-6-13(16(23)24)15(17(20,21)22)25-14(9)12(7-10)8-1-3-11(19)4-2-8/h1-7,15H,(H,23,24)
InChIKeyJJWCCMOALVRLLA-UHFFFAOYSA-N
XLogP4.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 53316516) is 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(F)cc3)c2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is JJWCCMOALVRLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF4O3/c18-10-5-9-6-13(16(23)24)15(17(20,21)22)25-14(9)12(7-10)8-1-3-11(19)4-2-8/h1-7,15H,(H,23,24).
What are the key properties of 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 372.70 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 53316516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).