6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid

C12H13BrF3NO2 — CID 69185188

IUPAC6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCc2cc(Br)ccc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H12BrN.C2HF3O2/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;3-2(4,5)1(6)7/h1,3,5,10H,2,4,6,12H2;(H,6,7)
InChIKeyUNXXGUKYFFBKJP-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.90
Rot. Bonds

About 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid

6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 69185188) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid
PubChem CID69185188
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC Name6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCc2cc(Br)ccc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H12BrN.C2HF3O2/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;3-2(4,5)1(6)7/h1,3,5,10H,2,4,6,12H2;(H,6,7)
InChIKeyUNXXGUKYFFBKJP-UHFFFAOYSA-N
XLogP2.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid (CID 69185188) is 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid is NC1CCc2cc(Br)ccc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is UNXXGUKYFFBKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.C2HF3O2/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;3-2(4,5)1(6)7/h1,3,5,10H,2,4,6,12H2;(H,6,7).
What are the key properties of 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid?
6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 340.14 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69185188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).