2-fluoro-3-naphthalen-1-ylbutanoic acid

C14H13FO2 — CID 81357950

IUPAC2-fluoro-3-naphthalen-1-ylbutanoic acid
SMILESCC(c1cccc2ccccc12)C(F)C(=O)O
InChIInChI=1S/C14H13FO2/c1-9(13(15)14(16)17)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3,(H,16,17)
InChIKeyKSGAULSZYDYMTQ-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.37
Rot. Bonds3

About 2-fluoro-3-naphthalen-1-ylbutanoic acid

2-fluoro-3-naphthalen-1-ylbutanoic acid (PubChem CID 81357950) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-fluoro-3-naphthalen-1-ylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-3-naphthalen-1-ylbutanoic acid
PubChem CID81357950
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name2-fluoro-3-naphthalen-1-ylbutanoic acid
SMILESCC(c1cccc2ccccc12)C(F)C(=O)O
InChIInChI=1S/C14H13FO2/c1-9(13(15)14(16)17)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3,(H,16,17)
InChIKeyKSGAULSZYDYMTQ-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272
3-naphthalen-1-ylbutanoic acid
CID 43211329
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
2-[(4-bromophenyl)sulfonylamino]-3-naphthalen-1-ylbutanoic acid
CID 138520359
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
azane;1-naphthalen-1-ylethyl trifluoromethanesulfonate
CID 174992561
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-naphthalen-1-ylbutanoic acid?
The IUPAC name of 2-fluoro-3-naphthalen-1-ylbutanoic acid (CID 81357950) is 2-fluoro-3-naphthalen-1-ylbutanoic acid.
What is the SMILES notation for 2-fluoro-3-naphthalen-1-ylbutanoic acid?
The canonical SMILES for 2-fluoro-3-naphthalen-1-ylbutanoic acid is CC(c1cccc2ccccc12)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-naphthalen-1-ylbutanoic acid?
The InChIKey is KSGAULSZYDYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-9(13(15)14(16)17)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3,(H,16,17).
What are the key properties of 2-fluoro-3-naphthalen-1-ylbutanoic acid?
2-fluoro-3-naphthalen-1-ylbutanoic acid has a molecular weight of 232.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-naphthalen-1-ylbutanoic acid is sourced from PubChem (CID 81357950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).