2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate

C16H15F3O3 — CID 11695301

IUPAC2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCC(F)(F)F)ccc2c1
InChIInChI=1S/C16H15F3O3/c1-10(15(20)22-9-16(17,18)19)11-3-4-13-8-14(21-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3
InChIKeyAZJVFESZLRUKQQ-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.06
Rot. Bonds4

About 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate

2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 11695301) has the molecular formula C16H15F3O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID11695301
Molecular FormulaC16H15F3O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCC(F)(F)F)ccc2c1
InChIInChI=1S/C16H15F3O3/c1-10(15(20)22-9-16(17,18)19)11-3-4-13-8-14(21-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3
InChIKeyAZJVFESZLRUKQQ-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate (CID 11695301) is 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc(C(C)C(=O)OCC(F)(F)F)ccc2c1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is AZJVFESZLRUKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O3/c1-10(15(20)22-9-16(17,18)19)11-3-4-13-8-14(21-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 312.29 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 11695301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).