(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine

C8H6BrF3IN — CID 131123838

IUPAC(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cc(Br)ccc1I)C(F)(F)F
InChIInChI=1S/C8H6BrF3IN/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12/h1-3,7H,14H2/t7-/m1/s1
InChIKeyLRMQAWVVFYKWAA-SSDOTTSWSA-N
MW379.95 g/mol
LogP3.62
Rot. Bonds1

About (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine

(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine (PubChem CID 131123838) has the molecular formula C8H6BrF3IN and a molecular weight of 379.95 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine
PubChem CID131123838
Molecular FormulaC8H6BrF3IN
Molecular Weight379.95 g/mol
Exact Mass378.87
IUPAC Name(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cc(Br)ccc1I)C(F)(F)F
InChIInChI=1S/C8H6BrF3IN/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12/h1-3,7H,14H2/t7-/m1/s1
InChIKeyLRMQAWVVFYKWAA-SSDOTTSWSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.95
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-bromo-2-iodophenyl)ethanamine
CID 130737837
2-(1-amino-2,2,2-trifluoroethyl)-5-bromophenol
CID 77127813
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623
(3R)-3-amino-3-(5-bromo-2-iodophenyl)propanenitrile
CID 131218502
1-(5-bromo-2-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114211015
3-[(1R)-1-amino-2,2,2-trifluoroethyl]-1,6-dibromonaphthalen-2-ol
CID 66510481
(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine
CID 130648455
(2S,3S)-3-amino-3-(2,5-dibromophenyl)-1,1,1-trifluoropropan-2-ol
CID 131347022
1-(5-bromo-2-iodophenyl)-3-chloropropan-1-ol
CID 155043896
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
(1R)-2,2,2-trifluoro-1-(2-fluoro-4-iodophenyl)ethanamine
CID 66512608
2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine
CID 106273986

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine (CID 131123838) is (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine is N[C@H](c1cc(Br)ccc1I)C(F)(F)F.
What is the InChIKey of (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine?
The InChIKey is LRMQAWVVFYKWAA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6BrF3IN/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12/h1-3,7H,14H2/t7-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine?
(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine has a molecular weight of 379.95 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 131123838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).