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

C12H13FO3 — CID 105481659

IUPAC7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOC1(C(=O)O)CCc2ccc(F)cc2C1
InChIInChI=1S/C12H13FO3/c1-16-12(11(14)15)5-4-8-2-3-10(13)6-9(8)7-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyMDJOXZZLZNIPDX-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.78
Rot. Bonds2

About 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 105481659) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID105481659
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOC1(C(=O)O)CCc2ccc(F)cc2C1
InChIInChI=1S/C12H13FO3/c1-16-12(11(14)15)5-4-8-2-3-10(13)6-9(8)7-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyMDJOXZZLZNIPDX-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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Related Compounds

5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 105481657
5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
CID 116531255
2-amino-7-(6-fluoronaphthalen-2-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210418
methyl 6-fluoro-3-methyl-2,4-dihydro-1H-isoquinoline-3-carboxylate
CID 68549388
2-(4-fluorophenyl)-5,5-dimethylcyclohexene-1-carboxylic acid
CID 154631323
6-bromo-2-ethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115616483
5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid
CID 116531327
6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138110145
(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
CID 114284487
2-(2,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750334
1-methoxy-4,4-dimethylcyclohexane-1-carboxylic acid
CID 83225553
6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
CID 105438538

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 105481659) is 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is COC1(C(=O)O)CCc2ccc(F)cc2C1.
What is the InChIKey of 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is MDJOXZZLZNIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-16-12(11(14)15)5-4-8-2-3-10(13)6-9(8)7-12/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
7-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 7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 105481659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).