6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine

C10H12FN — CID 84652141

IUPAC6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1)CCC(F)C2
InChIInChI=1S/C10H12FN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h2,4,6,9H,1,3,5,12H2
InChIKeyNOOXNSVQWXKPBF-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.10
Rot. Bonds

About 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine

6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 84652141) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID84652141
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1)CCC(F)C2
InChIInChI=1S/C10H12FN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h2,4,6,9H,1,3,5,12H2
InChIKeyNOOXNSVQWXKPBF-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine (CID 84652141) is 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine is Nc1ccc2c(c1)CCC(F)C2.
What is the InChIKey of 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is NOOXNSVQWXKPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h2,4,6,9H,1,3,5,12H2.
What are the key properties of 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine?
6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 165.21 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 84652141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).