methyl 2-(6-fluoronaphthalen-2-yl)propanoate

C14H13FO2 — CID 70591707

IUPACmethyl 2-(6-fluoronaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C14H13FO2/c1-9(14(16)17-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h3-9H,1-2H3
InChIKeyMKPDGIHHQAECCI-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.26
Rot. Bonds2

About methyl 2-(6-fluoronaphthalen-2-yl)propanoate

methyl 2-(6-fluoronaphthalen-2-yl)propanoate (PubChem CID 70591707) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is methyl 2-(6-fluoronaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(6-fluoronaphthalen-2-yl)propanoate
PubChem CID70591707
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Namemethyl 2-(6-fluoronaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C14H13FO2/c1-9(14(16)17-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h3-9H,1-2H3
InChIKeyMKPDGIHHQAECCI-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
CID 21412612
methyl 2-(6-bromonaphthalen-2-yl)propanoate
CID 154165948
methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
CID 59253984
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
CID 57447177
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
CID 124640418
(5-fluoro-2-nitrophenyl) 2-(6-methoxynaphthalen-2-yl)propanoate
CID 72685770
2-[[chloro-[6-[(2S)-1-methoxy-1-oxopropan-2-yl]naphthalen-2-yl]oxyphosphoryl]amino]-3-methylbutanoic acid
CID 87147748
methyl 2-(3-chloro-4-methylsulfanylphenyl)propanoate
CID 70816255
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
methyl 2-(1H-indazol-6-yl)propanoate
CID 70809324

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoronaphthalen-2-yl)propanoate?
The IUPAC name of methyl 2-(6-fluoronaphthalen-2-yl)propanoate (CID 70591707) is methyl 2-(6-fluoronaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 2-(6-fluoronaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 2-(6-fluoronaphthalen-2-yl)propanoate is COC(=O)C(C)c1ccc2cc(F)ccc2c1.
What is the InChIKey of methyl 2-(6-fluoronaphthalen-2-yl)propanoate?
The InChIKey is MKPDGIHHQAECCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-9(14(16)17-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h3-9H,1-2H3.
What are the key properties of methyl 2-(6-fluoronaphthalen-2-yl)propanoate?
methyl 2-(6-fluoronaphthalen-2-yl)propanoate has a molecular weight of 232.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoronaphthalen-2-yl)propanoate is sourced from PubChem (CID 70591707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).