[(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium

C8H8BrF3N+ — CID 58611164

IUPAC[(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium
SMILES[NH3+][C@H](c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C8H7BrF3N/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7H,13H2/p+1/t7-/m1/s1
InChIKeyWBOABZOPYZNWCX-SSDOTTSWSA-O
MW255.06 g/mol
LogP2.29
Rot. Bonds1

About [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium

[(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium (PubChem CID 58611164) has the molecular formula C8H8BrF3N+ and a molecular weight of 255.06 g/mol. Its IUPAC name is [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium
PubChem CID58611164
Molecular FormulaC8H8BrF3N+
Molecular Weight255.06 g/mol
Exact Mass253.98
IUPAC Name[(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium
SMILES[NH3+][C@H](c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C8H7BrF3N/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7H,13H2/p+1/t7-/m1/s1
InChIKeyWBOABZOPYZNWCX-SSDOTTSWSA-O
XLogP2.29
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium?
The IUPAC name of [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium (CID 58611164) is [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium.
What is the SMILES notation for [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium?
The canonical SMILES for [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium is [NH3+][C@H](c1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium?
The InChIKey is WBOABZOPYZNWCX-SSDOTTSWSA-O. The full InChI is InChI=1S/C8H7BrF3N/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7H,13H2/p+1/t7-/m1/s1.
What are the key properties of [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium?
[(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium has a molecular weight of 255.06 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium is sourced from PubChem (CID 58611164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).