(1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine

C8H3BrF7N — CID 66512670

IUPAC(1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1c(F)c(F)c(Br)c(F)c1F)C(F)(F)F
InChIInChI=1S/C8H3BrF7N/c9-2-5(12)3(10)1(4(11)6(2)13)7(17)8(14,15)16/h7H,17H2/t7-/m1/s1
InChIKeyQCPKWNWIJXWKGF-SSDOTTSWSA-N
MW326.01 g/mol
LogP3.57
Rot. Bonds1

About (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine

(1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine (PubChem CID 66512670) has the molecular formula C8H3BrF7N and a molecular weight of 326.01 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine
PubChem CID66512670
Molecular FormulaC8H3BrF7N
Molecular Weight326.01 g/mol
Exact Mass324.93
IUPAC Name(1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1c(F)c(F)c(Br)c(F)c1F)C(F)(F)F
InChIInChI=1S/C8H3BrF7N/c9-2-5(12)3(10)1(4(11)6(2)13)7(17)8(14,15)16/h7H,17H2/t7-/m1/s1
InChIKeyQCPKWNWIJXWKGF-SSDOTTSWSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.01
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine (CID 66512670) is (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine is N[C@H](c1c(F)c(F)c(Br)c(F)c1F)C(F)(F)F.
What is the InChIKey of (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine?
The InChIKey is QCPKWNWIJXWKGF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H3BrF7N/c9-2-5(12)3(10)1(4(11)6(2)13)7(17)8(14,15)16/h7H,17H2/t7-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine?
(1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine has a molecular weight of 326.01 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66512670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).