2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

C13H15FO3 — CID 81357749

IUPAC2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C(F)C(=O)O)CCC2
InChIInChI=1S/C13H15FO3/c1-17-9-6-5-8-3-2-4-10(11(8)7-9)12(14)13(15)16/h5-7,10,12H,2-4H2,1H3,(H,15,16)
InChIKeyNAMGVEMCZLJHIR-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.54
Rot. Bonds3

About 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 81357749) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID81357749
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C(F)C(=O)O)CCC2
InChIInChI=1S/C13H15FO3/c1-17-9-6-5-8-3-2-4-10(11(8)7-9)12(14)13(15)16/h5-7,10,12H,2-4H2,1H3,(H,15,16)
InChIKeyNAMGVEMCZLJHIR-UHFFFAOYSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic 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

2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 79367554
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine
CID 79248643
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine
CID 83050599
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79248400
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79247936
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 81357749) is 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is COc1ccc2c(c1)C(C(F)C(=O)O)CCC2.
What is the InChIKey of 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is NAMGVEMCZLJHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-17-9-6-5-8-3-2-4-10(11(8)7-9)12(14)13(15)16/h5-7,10,12H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 238.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 81357749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).