(1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine

C9H9BrF3N — CID 66510365

IUPAC(1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine
SMILESCc1cc([C@@H](N)C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3N/c1-5-4-6(2-3-7(5)10)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1
InChIKeyJRZDQJZETQLPIF-MRVPVSSYSA-N
MW268.08 g/mol
LogP3.32
Rot. Bonds1

About (1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine

(1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine (PubChem CID 66510365) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is (1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine
PubChem CID66510365
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name(1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine
SMILESCc1cc([C@@H](N)C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3N/c1-5-4-6(2-3-7(5)10)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1
InChIKeyJRZDQJZETQLPIF-MRVPVSSYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine (CID 66510365) is (1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine is Cc1cc([C@@H](N)C(F)(F)F)ccc1Br.
What is the InChIKey of (1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine?
The InChIKey is JRZDQJZETQLPIF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c1-5-4-6(2-3-7(5)10)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine?
(1R)-1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanamine has a molecular weight of 268.08 g/mol, XLogP of 3.32, 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-3-methylphenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66510365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).