ethyl 2-(6-fluoronaphthalen-1-yl)propanoate

C15H15FO2 — CID 58093591

IUPACethyl 2-(6-fluoronaphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)c1cccc2cc(F)ccc12
InChIInChI=1S/C15H15FO2/c1-3-18-15(17)10(2)13-6-4-5-11-9-12(16)7-8-14(11)13/h4-10H,3H2,1-2H3
InChIKeySOWCTUHHMSNXIM-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.65
Rot. Bonds3

About ethyl 2-(6-fluoronaphthalen-1-yl)propanoate

ethyl 2-(6-fluoronaphthalen-1-yl)propanoate (PubChem CID 58093591) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is ethyl 2-(6-fluoronaphthalen-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(6-fluoronaphthalen-1-yl)propanoate
PubChem CID58093591
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Nameethyl 2-(6-fluoronaphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)c1cccc2cc(F)ccc12
InChIInChI=1S/C15H15FO2/c1-3-18-15(17)10(2)13-6-4-5-11-9-12(16)7-8-14(11)13/h4-10H,3H2,1-2H3
InChIKeySOWCTUHHMSNXIM-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(5-methoxynaphthalen-2-yl)propanoate
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ethyl 2-(2,3-dibromophenyl)propanoate
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CID 79474644
ethyl 2-(2,3,4-trifluorophenyl)propanoate
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CID 125482939
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoronaphthalen-1-yl)propanoate?
The IUPAC name of ethyl 2-(6-fluoronaphthalen-1-yl)propanoate (CID 58093591) is ethyl 2-(6-fluoronaphthalen-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(6-fluoronaphthalen-1-yl)propanoate?
The canonical SMILES for ethyl 2-(6-fluoronaphthalen-1-yl)propanoate is CCOC(=O)C(C)c1cccc2cc(F)ccc12.
What is the InChIKey of ethyl 2-(6-fluoronaphthalen-1-yl)propanoate?
The InChIKey is SOWCTUHHMSNXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-3-18-15(17)10(2)13-6-4-5-11-9-12(16)7-8-14(11)13/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-(6-fluoronaphthalen-1-yl)propanoate?
ethyl 2-(6-fluoronaphthalen-1-yl)propanoate has a molecular weight of 246.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoronaphthalen-1-yl)propanoate is sourced from PubChem (CID 58093591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).