(2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid

C12H12F3NO3 — CID 67547033

IUPAC(2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESC[C@@H]1CC(N)c2cc(C(=O)O)c(C(F)(F)F)cc2O1
InChIInChI=1S/C12H12F3NO3/c1-5-2-9(16)7-3-6(11(17)18)8(12(13,14)15)4-10(7)19-5/h3-5,9H,2,16H2,1H3,(H,17,18)/t5-,9?/m1/s1
InChIKeyGFJIQBLJRQQMLZ-RRPHZQQHSA-N
MW275.23 g/mol
LogP2.57
Rot. Bonds1

About (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid

(2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid (PubChem CID 67547033) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid
PubChem CID67547033
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name(2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESC[C@@H]1CC(N)c2cc(C(=O)O)c(C(F)(F)F)cc2O1
InChIInChI=1S/C12H12F3NO3/c1-5-2-9(16)7-3-6(11(17)18)8(12(13,14)15)4-10(7)19-5/h3-5,9H,2,16H2,1H3,(H,17,18)/t5-,9?/m1/s1
InChIKeyGFJIQBLJRQQMLZ-RRPHZQQHSA-N
XLogP2.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The IUPAC name of (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid (CID 67547033) is (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid.
What is the SMILES notation for (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The canonical SMILES for (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid is C[C@@H]1CC(N)c2cc(C(=O)O)c(C(F)(F)F)cc2O1.
What is the InChIKey of (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The InChIKey is GFJIQBLJRQQMLZ-RRPHZQQHSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-5-2-9(16)7-3-6(11(17)18)8(12(13,14)15)4-10(7)19-5/h3-5,9H,2,16H2,1H3,(H,17,18)/t5-,9?/m1/s1.
What are the key properties of (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid?
(2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 67547033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).