5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C12H13FO3 — CID 105481657

IUPAC5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOC1(C(=O)O)CCc2c(F)cccc2C1
InChIInChI=1S/C12H13FO3/c1-16-12(11(14)15)6-5-9-8(7-12)3-2-4-10(9)13/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyGHYOPVQRYXOIRC-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.78
Rot. Bonds2

About 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 105481657) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID105481657
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOC1(C(=O)O)CCc2c(F)cccc2C1
InChIInChI=1S/C12H13FO3/c1-16-12(11(14)15)6-5-9-8(7-12)3-2-4-10(9)13/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyGHYOPVQRYXOIRC-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 105481657) is 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is COC1(C(=O)O)CCc2c(F)cccc2C1.
What is the InChIKey of 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is GHYOPVQRYXOIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-16-12(11(14)15)6-5-9-8(7-12)3-2-4-10(9)13/h2-4H,5-7H2,1H3,(H,14,15).
What are the key properties of 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 105481657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).