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

C13H15BrF3N — CID 63625362

IUPAC6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFC(F)(F)CCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H15BrF3N/c14-11-3-1-10-8-12(4-2-9(10)7-11)18-6-5-13(15,16)17/h1,3,7,12,18H,2,4-6,8H2
InChIKeyOJDGJSHLGNRYDE-UHFFFAOYSA-N
MW322.17 g/mol
LogP3.85
Rot. Bonds3

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

6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625362) has the molecular formula C13H15BrF3N and a molecular weight of 322.17 g/mol. Its IUPAC name is 6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625362
Molecular FormulaC13H15BrF3N
Molecular Weight322.17 g/mol
Exact Mass321.03
IUPAC Name6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFC(F)(F)CCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H15BrF3N/c14-11-3-1-10-8-12(4-2-9(10)7-11)18-6-5-13(15,16)17/h1,3,7,12,18H,2,4-6,8H2
InChIKeyOJDGJSHLGNRYDE-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625362) is 6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is FC(F)(F)CCNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is OJDGJSHLGNRYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N/c14-11-3-1-10-8-12(4-2-9(10)7-11)18-6-5-13(15,16)17/h1,3,7,12,18H,2,4-6,8H2.
What are the key properties of 6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 322.17 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).