2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

C12H13FO3 — CID 105481647

IUPAC2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)C(F)C1CCCc2c(O)cccc21
InChIInChI=1S/C12H13FO3/c13-11(12(15)16)9-5-1-4-8-7(9)3-2-6-10(8)14/h2-3,6,9,11,14H,1,4-5H2,(H,15,16)
InChIKeyFWRLSFGKHKGAJW-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.23
Rot. Bonds2

About 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 105481647) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID105481647
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)C(F)C1CCCc2c(O)cccc21
InChIInChI=1S/C12H13FO3/c13-11(12(15)16)9-5-1-4-8-7(9)3-2-6-10(8)14/h2-3,6,9,11,14H,1,4-5H2,(H,15,16)
InChIKeyFWRLSFGKHKGAJW-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 105481651
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 92978915
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
1-[4-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-1-yl]ethanone
CID 82958467
N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
CID 99795360
5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105476149
carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 20637491
5-(4-propan-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82976978
5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57052297
5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 83685405
5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982641

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 105481647) is 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is O=C(O)C(F)C1CCCc2c(O)cccc21.
What is the InChIKey of 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is FWRLSFGKHKGAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-11(12(15)16)9-5-1-4-8-7(9)3-2-6-10(8)14/h2-3,6,9,11,14H,1,4-5H2,(H,15,16).
What are the key properties of 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 224.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 105481647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).