7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

C11H11FO3 — CID 115026714

IUPAC7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1c2cc(F)ccc2CCC1O
InChIInChI=1S/C11H11FO3/c12-7-3-1-6-2-4-9(13)10(11(14)15)8(6)5-7/h1,3,5,9-10,13H,2,4H2,(H,14,15)
InChIKeyPCQDCPOKBNBUDY-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.30
Rot. Bonds1

About 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 115026714) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
PubChem CID115026714
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1c2cc(F)ccc2CCC1O
InChIInChI=1S/C11H11FO3/c12-7-3-1-6-2-4-9(13)10(11(14)15)8(6)5-7/h1,3,5,9-10,13H,2,4H2,(H,14,15)
InChIKeyPCQDCPOKBNBUDY-UHFFFAOYSA-N
XLogP1.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057986
7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
CID 66523703
2-amino-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432297
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
(3R)-1-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-3-methylpyrrolidine-3-carboxylic acid
CID 129469360
2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal
CID 105458981
3-fluoro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934544
4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122033746
1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid
CID 154766912
2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 154740189
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 111538143

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CID 115026714) is 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is O=C(O)C1c2cc(F)ccc2CCC1O.
What is the InChIKey of 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is PCQDCPOKBNBUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-7-3-1-6-2-4-9(13)10(11(14)15)8(6)5-7/h1,3,5,9-10,13H,2,4H2,(H,14,15).
What are the key properties of 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 210.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 115026714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).