8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

C10H10FNO2 — CID 89015861

IUPAC8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
SMILESO=C(O)N1CCc2cccc(F)c2C1
InChIInChI=1S/C10H10FNO2/c11-9-3-1-2-7-4-5-12(10(13)14)6-8(7)9/h1-3H,4-6H2,(H,13,14)
InChIKeyJYIMMFMPQZQWEL-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.86
Rot. Bonds

About 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (PubChem CID 89015861) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
PubChem CID89015861
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
SMILESO=C(O)N1CCc2cccc(F)c2C1
InChIInChI=1S/C10H10FNO2/c11-9-3-1-2-7-4-5-12(10(13)14)6-8(7)9/h1-3H,4-6H2,(H,13,14)
InChIKeyJYIMMFMPQZQWEL-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
The IUPAC name of 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (CID 89015861) is 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid.
What is the SMILES notation for 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
The canonical SMILES for 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid is O=C(O)N1CCc2cccc(F)c2C1.
What is the InChIKey of 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
The InChIKey is JYIMMFMPQZQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-9-3-1-2-7-4-5-12(10(13)14)6-8(7)9/h1-3H,4-6H2,(H,13,14).
What are the key properties of 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid is sourced from PubChem (CID 89015861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).