2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid

C13H13FO3 — CID 105497474

IUPAC2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid
SMILESCOc1cccc2c1CCC=C2C(F)C(=O)O
InChIInChI=1S/C13H13FO3/c1-17-11-7-3-4-8-9(11)5-2-6-10(8)12(14)13(15)16/h3-4,6-7,12H,2,5H2,1H3,(H,15,16)
InChIKeyDUMBOGRRNHYRBO-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.45
Rot. Bonds3

About 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid

2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid (PubChem CID 105497474) has the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid
PubChem CID105497474
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid
SMILESCOc1cccc2c1CCC=C2C(F)C(=O)O
InChIInChI=1S/C13H13FO3/c1-17-11-7-3-4-8-9(11)5-2-6-10(8)12(14)13(15)16/h3-4,6-7,12H,2,5H2,1H3,(H,15,16)
InChIKeyDUMBOGRRNHYRBO-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 23567165
1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one
CID 132600226
2-[[5-(2-methoxyethoxy)-3,4-dihydronaphthalen-1-yl]methyl]propanedioic acid
CID 139978684
2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 105481651
(5-methoxy-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane
CID 11770788
methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 102446417
5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057866
2-[4-(7-methoxy-3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid
CID 24757845
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814
N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine
CID 145426921
2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 83910520
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid (CID 105497474) is 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid is COc1cccc2c1CCC=C2C(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid?
The InChIKey is DUMBOGRRNHYRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3/c1-17-11-7-3-4-8-9(11)5-2-6-10(8)12(14)13(15)16/h3-4,6-7,12H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid?
2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid has a molecular weight of 236.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 105497474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).