(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate

C13H11F3O3 — CID 14175471

IUPAC(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
SMILESCOc1ccc2c(c1)CCC=C2OC(=O)C(F)(F)F
InChIInChI=1S/C13H11F3O3/c1-18-9-5-6-10-8(7-9)3-2-4-11(10)19-12(17)13(14,15)16/h4-7H,2-3H2,1H3
InChIKeyMLJCWFIIWIYBJE-UHFFFAOYSA-N
MW272.22 g/mol
LogP3.09
Rot. Bonds2

About (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate

(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate (PubChem CID 14175471) has the molecular formula C13H11F3O3 and a molecular weight of 272.22 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
PubChem CID14175471
Molecular FormulaC13H11F3O3
Molecular Weight272.22 g/mol
Exact Mass272.07
IUPAC Name(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
SMILESCOc1ccc2c(c1)CCC=C2OC(=O)C(F)(F)F
InChIInChI=1S/C13H11F3O3/c1-18-9-5-6-10-8(7-9)3-2-4-11(10)19-12(17)13(14,15)16/h4-7H,2-3H2,1H3
InChIKeyMLJCWFIIWIYBJE-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 11243752
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
(6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10043693
N-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-N-methylacetamide
CID 11054318
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 129096575
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
(3,4-dimethoxyphenyl) 2,2,2-trifluoroacetate
CID 70293212
4-[2-(4-fluorophenyl)ethyl]-7-methoxy-1,2-dihydronaphthalene
CID 172732247
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
2,2,2-trifluoro-1-(5-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 170005081

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate (CID 14175471) is (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate is COc1ccc2c(c1)CCC=C2OC(=O)C(F)(F)F.
What is the InChIKey of (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is MLJCWFIIWIYBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O3/c1-18-9-5-6-10-8(7-9)3-2-4-11(10)19-12(17)13(14,15)16/h4-7H,2-3H2,1H3.
What are the key properties of (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate?
(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 272.22 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 14175471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).