methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate

C14H16F3NO3 — CID 54214512

IUPACmethyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate
SMILESCOC(=O)Cc1cc2c(c(OC)c1)NC(C(F)(F)F)CC2
InChIInChI=1S/C14H16F3NO3/c1-20-10-6-8(7-12(19)21-2)5-9-3-4-11(14(15,16)17)18-13(9)10/h5-6,11,18H,3-4,7H2,1-2H3
InChIKeyPYFFINJXPDSNJG-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.70
Rot. Bonds3

About methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate

methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate (PubChem CID 54214512) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate
PubChem CID54214512
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Namemethyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate
SMILESCOC(=O)Cc1cc2c(c(OC)c1)NC(C(F)(F)F)CC2
InChIInChI=1S/C14H16F3NO3/c1-20-10-6-8(7-12(19)21-2)5-9-3-4-11(14(15,16)17)18-13(9)10/h5-6,11,18H,3-4,7H2,1-2H3
InChIKeyPYFFINJXPDSNJG-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate?
The IUPAC name of methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate (CID 54214512) is methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate.
What is the SMILES notation for methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate?
The canonical SMILES for methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate is COC(=O)Cc1cc2c(c(OC)c1)NC(C(F)(F)F)CC2.
What is the InChIKey of methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate?
The InChIKey is PYFFINJXPDSNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-20-10-6-8(7-12(19)21-2)5-9-3-4-11(14(15,16)17)18-13(9)10/h5-6,11,18H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate?
methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate has a molecular weight of 303.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate is sourced from PubChem (CID 54214512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).