8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C12H14FNO2 — CID 67546162

IUPAC8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)c(F)cc2c1C(N)CCC2
InChIInChI=1S/C12H14FNO2/c1-6-10-7(3-2-4-9(10)14)5-8(13)11(6)12(15)16/h5,9H,2-4,14H2,1H3,(H,15,16)
InChIKeySQTZHIMPMKQURB-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.17
Rot. Bonds1

About 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 67546162) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID67546162
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)c(F)cc2c1C(N)CCC2
InChIInChI=1S/C12H14FNO2/c1-6-10-7(3-2-4-9(10)14)5-8(13)11(6)12(15)16/h5,9H,2-4,14H2,1H3,(H,15,16)
InChIKeySQTZHIMPMKQURB-UHFFFAOYSA-N
XLogP2.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 67546162) is 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is Cc1c(C(=O)O)c(F)cc2c1C(N)CCC2.
What is the InChIKey of 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is SQTZHIMPMKQURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-6-10-7(3-2-4-9(10)14)5-8(13)11(6)12(15)16/h5,9H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-fluoro-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 67546162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).