6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C14H10ClF3O3 — CID 58934979

IUPAC6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)c(C3CC3)cc2OC1C(F)(F)F
InChIInChI=1S/C14H10ClF3O3/c15-10-4-7-3-9(13(19)20)12(14(16,17)18)21-11(7)5-8(10)6-1-2-6/h3-6,12H,1-2H2,(H,19,20)
InChIKeyLOXKAIMHLLHOLR-UHFFFAOYSA-N
MW318.68 g/mol
LogP4.01
Rot. Bonds2

About 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 58934979) has the molecular formula C14H10ClF3O3 and a molecular weight of 318.68 g/mol. Its IUPAC name is 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID58934979
Molecular FormulaC14H10ClF3O3
Molecular Weight318.68 g/mol
Exact Mass318.03
IUPAC Name6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)c(C3CC3)cc2OC1C(F)(F)F
InChIInChI=1S/C14H10ClF3O3/c15-10-4-7-3-9(13(19)20)12(14(16,17)18)21-11(7)5-8(10)6-1-2-6/h3-6,12H,1-2H2,(H,19,20)
InChIKeyLOXKAIMHLLHOLR-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 58934979) is 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(Cl)c(C3CC3)cc2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is LOXKAIMHLLHOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O3/c15-10-4-7-3-9(13(19)20)12(14(16,17)18)21-11(7)5-8(10)6-1-2-6/h3-6,12H,1-2H2,(H,19,20).
What are the key properties of 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 318.68 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 58934979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).