(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid

C13H11FO2 — CID 86333572

IUPAC(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)c1ccc(F)c2ccccc12
InChIInChI=1S/C13H11FO2/c1-8(13(15)16)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-8H,1H3,(H,15,16)/t8-/m0/s1
InChIKeyIMYJLWBXEMLBIB-QMMMGPOBSA-N
MW218.23 g/mol
LogP3.17
Rot. Bonds2

About (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid

(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid (PubChem CID 86333572) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
PubChem CID86333572
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Name(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)c1ccc(F)c2ccccc12
InChIInChI=1S/C13H11FO2/c1-8(13(15)16)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-8H,1H3,(H,15,16)/t8-/m0/s1
InChIKeyIMYJLWBXEMLBIB-QMMMGPOBSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
2-(3-chloro-4-fluoro-2-methoxyphenyl)propanoic acid
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ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-quinolin-4-ylpropanoic acid
CID 127018626
methyl 3-(4-fluoronaphthalen-1-yl)butanoate
CID 171372858
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
3-amino-3-(4-fluoronaphthalen-1-yl)propanoic acid;hydrochloride
CID 91844833
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117328561
2-(1-methylisoquinolin-5-yl)propanoic acid
CID 58093528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid (CID 86333572) is (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid is C[C@H](C(=O)O)c1ccc(F)c2ccccc12.
What is the InChIKey of (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid?
The InChIKey is IMYJLWBXEMLBIB-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11FO2/c1-8(13(15)16)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-8H,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid?
(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid has a molecular weight of 218.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 86333572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).