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

C11H8ClF3O3 — CID 22638932

IUPAC6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)ccc2OC1C(F)(F)F
InChIInChI=1S/C11H8ClF3O3/c12-6-1-2-8-5(3-6)4-7(10(16)17)9(18-8)11(13,14)15/h1-3,7,9H,4H2,(H,16,17)
InChIKeyULMVWDNSQUQMSP-UHFFFAOYSA-N
MW280.63 g/mol
LogP2.91
Rot. Bonds1

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

6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 22638932) has the molecular formula C11H8ClF3O3 and a molecular weight of 280.63 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID22638932
Molecular FormulaC11H8ClF3O3
Molecular Weight280.63 g/mol
Exact Mass280.01
IUPAC Name6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)ccc2OC1C(F)(F)F
InChIInChI=1S/C11H8ClF3O3/c12-6-1-2-8-5(3-6)4-7(10(16)17)9(18-8)11(13,14)15/h1-3,7,9H,4H2,(H,16,17)
InChIKeyULMVWDNSQUQMSP-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.63
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 22638932) is 6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1Cc2cc(Cl)ccc2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is ULMVWDNSQUQMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3O3/c12-6-1-2-8-5(3-6)4-7(10(16)17)9(18-8)11(13,14)15/h1-3,7,9H,4H2,(H,16,17).
What are the key properties of 6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 280.63 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 22638932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).