6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C10H13ClFN — CID 71757709

IUPAC6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCl.NC1CCCc2cc(F)ccc21
InChIInChI=1S/C10H12FN.ClH/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;/h4-6,10H,1-3,12H2;1H
InChIKeyNERMSLPTMJQXPR-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.58
Rot. Bonds

About 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 71757709) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID71757709
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCl.NC1CCCc2cc(F)ccc21
InChIInChI=1S/C10H12FN.ClH/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;/h4-6,10H,1-3,12H2;1H
InChIKeyNERMSLPTMJQXPR-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 71757709) is 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is Cl.NC1CCCc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is NERMSLPTMJQXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.ClH/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;/h4-6,10H,1-3,12H2;1H.
What are the key properties of 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 201.67 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 71757709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).