2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid

C13H15FO2 — CID 105479060

IUPAC2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCc2cccc(F)c21
InChIInChI=1S/C13H15FO2/c1-8(13(15)16)10-6-2-4-9-5-3-7-11(14)12(9)10/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16)
InChIKeyIIEIIZKTCQTVLE-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.97
Rot. Bonds2

About 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid

2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid (PubChem CID 105479060) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
PubChem CID105479060
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCc2cccc(F)c21
InChIInChI=1S/C13H15FO2/c1-8(13(15)16)10-6-2-4-9-5-3-7-11(14)12(9)10/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16)
InChIKeyIIEIIZKTCQTVLE-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115056927
2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 117199780
8-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445428
(5R,6R)-6-amino-4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600925
8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 12778774
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl 2-methylprop-2-enoate
CID 89474755
(2S)-2-amino-1-[(1R)-8-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 125153208
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
(1S)-7-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 89205877
8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105493137
2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105476138
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105456735

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid (CID 105479060) is 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid is CC(C(=O)O)C1CCCc2cccc(F)c21.
What is the InChIKey of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid?
The InChIKey is IIEIIZKTCQTVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-8(13(15)16)10-6-2-4-9-5-3-7-11(14)12(9)10/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16).
What are the key properties of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid?
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid has a molecular weight of 222.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 105479060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).