(2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate

C13H11F3O2 — CID 11817700

IUPAC(2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
SMILESCC1=C(OC(=O)C(F)(F)F)c2ccccc2CC1
InChIInChI=1S/C13H11F3O2/c1-8-6-7-9-4-2-3-5-10(9)11(8)18-12(17)13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyOULVKYRMLZRSLT-UHFFFAOYSA-N
MW256.22 g/mol
LogP3.47
Rot. Bonds1

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

(2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate (PubChem CID 11817700) has the molecular formula C13H11F3O2 and a molecular weight of 256.22 g/mol. Its IUPAC name is (2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
PubChem CID11817700
Molecular FormulaC13H11F3O2
Molecular Weight256.22 g/mol
Exact Mass256.07
IUPAC Name(2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
SMILESCC1=C(OC(=O)C(F)(F)F)c2ccccc2CC1
InChIInChI=1S/C13H11F3O2/c1-8-6-7-9-4-2-3-5-10(9)11(8)18-12(17)13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyOULVKYRMLZRSLT-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate (CID 11817700) is (2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate is CC1=C(OC(=O)C(F)(F)F)c2ccccc2CC1.
What is the InChIKey of (2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is OULVKYRMLZRSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2/c1-8-6-7-9-4-2-3-5-10(9)11(8)18-12(17)13(14,15)16/h2-5H,6-7H2,1H3.
What are the key properties of (2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate?
(2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 256.22 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 11817700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).