methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate

C14H15FO2 — CID 70590431

IUPACmethyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)C1=Cc2ccc(F)cc2CC1
InChIInChI=1S/C14H15FO2/c1-9(14(16)17-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h5-9H,3-4H2,1-2H3
InChIKeyYKAUVOPRLFUEPA-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.96
Rot. Bonds2

About methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate

methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate (PubChem CID 70590431) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate
PubChem CID70590431
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Namemethyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)C1=Cc2ccc(F)cc2CC1
InChIInChI=1S/C14H15FO2/c1-9(14(16)17-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h5-9H,3-4H2,1-2H3
InChIKeyYKAUVOPRLFUEPA-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate?
The IUPAC name of methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate (CID 70590431) is methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate is COC(=O)C(C)C1=Cc2ccc(F)cc2CC1.
What is the InChIKey of methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate?
The InChIKey is YKAUVOPRLFUEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c1-9(14(16)17-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h5-9H,3-4H2,1-2H3.
What are the key properties of methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate?
methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate has a molecular weight of 234.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-3,4-dihydronaphthalen-2-yl)propanoate is sourced from PubChem (CID 70590431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).