6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C12H13BrF3N — CID 63627073

IUPAC6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFC(F)(F)CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C12H13BrF3N/c13-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(14,15)16/h1,3,5,11,17H,2,4,6-7H2
InChIKeyUUCCGULODQWUKS-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.46
Rot. Bonds2

About 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627073) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627073
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFC(F)(F)CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C12H13BrF3N/c13-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(14,15)16/h1,3,5,11,17H,2,4,6-7H2
InChIKeyUUCCGULODQWUKS-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627073) is 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is FC(F)(F)CNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UUCCGULODQWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(14,15)16/h1,3,5,11,17H,2,4,6-7H2.
What are the key properties of 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 308.14 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).