5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine

C12H13BrF3N — CID 63225994

IUPAC5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)CCNC1CCc2cc(Br)ccc21
InChIInChI=1S/C12H13BrF3N/c13-9-2-3-10-8(7-9)1-4-11(10)17-6-5-12(14,15)16/h2-3,7,11,17H,1,4-6H2
InChIKeyYNIWKBQCBHXOFO-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.98
Rot. Bonds3

About 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63225994) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID63225994
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)CCNC1CCc2cc(Br)ccc21
InChIInChI=1S/C12H13BrF3N/c13-9-2-3-10-8(7-9)1-4-11(10)17-6-5-12(14,15)16/h2-3,7,11,17H,1,4-6H2
InChIKeyYNIWKBQCBHXOFO-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine (CID 63225994) is 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine is FC(F)(F)CCNC1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YNIWKBQCBHXOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-9-2-3-10-8(7-9)1-4-11(10)17-6-5-12(14,15)16/h2-3,7,11,17H,1,4-6H2.
What are the key properties of 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 308.14 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63225994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).