(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine

C8H8BrF2N — CID 124707209

IUPAC(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1cccc(Br)c1F
InChIInChI=1S/C8H8BrF2N/c9-6-3-1-2-5(8(6)11)7(12)4-10/h1-3,7H,4,12H2/t7-/m0/s1
InChIKeyQKKVLMYNXVNQFB-ZETCQYMHSA-N
MW236.06 g/mol
LogP2.56
Rot. Bonds2

About (1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine

(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine (PubChem CID 124707209) has the molecular formula C8H8BrF2N and a molecular weight of 236.06 g/mol. Its IUPAC name is (1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
PubChem CID124707209
Molecular FormulaC8H8BrF2N
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1cccc(Br)c1F
InChIInChI=1S/C8H8BrF2N/c9-6-3-1-2-5(8(6)11)7(12)4-10/h1-3,7H,4,12H2/t7-/m0/s1
InChIKeyQKKVLMYNXVNQFB-ZETCQYMHSA-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

(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106647905
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(1R)-1-(3-bromo-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171203684
(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171203694
1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 106645991
1-(3-bromo-2-fluorophenyl)-3-methylbut-3-en-1-amine
CID 107953308
(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171203680
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine?
The IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine (CID 124707209) is (1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine.
What is the SMILES notation for (1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine?
The canonical SMILES for (1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine is N[C@@H](CF)c1cccc(Br)c1F.
What is the InChIKey of (1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine?
The InChIKey is QKKVLMYNXVNQFB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8BrF2N/c9-6-3-1-2-5(8(6)11)7(12)4-10/h1-3,7H,4,12H2/t7-/m0/s1.
What are the key properties of (1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine?
(1R)-1-(3-bromo-2-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-(3-bromo-2-fluorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 124707209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).