(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine

C8H8BrF2N — CID 124707188

IUPAC(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1cc(F)ccc1Br
InChIInChI=1S/C8H8BrF2N/c9-7-2-1-5(11)3-6(7)8(12)4-10/h1-3,8H,4,12H2/t8-/m0/s1
InChIKeyBZHNMNTZZCHWJA-QMMMGPOBSA-N
MW236.06 g/mol
LogP2.56
Rot. Bonds2

About (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine

(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine (PubChem CID 124707188) has the molecular formula C8H8BrF2N and a molecular weight of 236.06 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
PubChem CID124707188
Molecular FormulaC8H8BrF2N
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1cc(F)ccc1Br
InChIInChI=1S/C8H8BrF2N/c9-7-2-1-5(11)3-6(7)8(12)4-10/h1-3,8H,4,12H2/t8-/m0/s1
InChIKeyBZHNMNTZZCHWJA-QMMMGPOBSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine
CID 105412511
(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride
CID 171235024
(1R)-1-(2-bromo-5-fluorophenyl)pentan-1-amine;hydrochloride
CID 171202646
(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130985582
1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine
CID 115850151
(1S)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130939820
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1S)-1-(2-bromo-5-fluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171222200

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine?
The IUPAC name of (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine (CID 124707188) is (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine.
What is the SMILES notation for (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine?
The canonical SMILES for (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine is N[C@@H](CF)c1cc(F)ccc1Br.
What is the InChIKey of (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine?
The InChIKey is BZHNMNTZZCHWJA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8BrF2N/c9-7-2-1-5(11)3-6(7)8(12)4-10/h1-3,8H,4,12H2/t8-/m0/s1.
What are the key properties of (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine?
(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine has a molecular weight of 236.06 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 124707188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).