(1S)-1-(2-fluoro-5-iodophenyl)ethanamine

C8H9FIN — CID 131032773

IUPAC(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
SMILESC[C@H](N)c1cc(I)ccc1F
InChIInChI=1S/C8H9FIN/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5H,11H2,1H3/t5-/m0/s1
InChIKeyYICUGWXOZPRUFR-YFKPBYRVSA-N
MW265.07 g/mol
LogP2.45
Rot. Bonds1

About (1S)-1-(2-fluoro-5-iodophenyl)ethanamine

(1S)-1-(2-fluoro-5-iodophenyl)ethanamine (PubChem CID 131032773) has the molecular formula C8H9FIN and a molecular weight of 265.07 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-5-iodophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
PubChem CID131032773
Molecular FormulaC8H9FIN
Molecular Weight265.07 g/mol
Exact Mass264.98
IUPAC Name(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
SMILESC[C@H](N)c1cc(I)ccc1F
InChIInChI=1S/C8H9FIN/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5H,11H2,1H3/t5-/m0/s1
InChIKeyYICUGWXOZPRUFR-YFKPBYRVSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 52.45
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

(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171266075
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
(1S,2R)-1-amino-1-(2-fluoro-5-iodophenyl)-5-methylhexan-2-ol
CID 171271749
1-(5-tert-butyl-2-fluorophenyl)ethanamine
CID 83988556
(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
CID 171216213
(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-5-iodophenyl)ethanamine?
The IUPAC name of (1S)-1-(2-fluoro-5-iodophenyl)ethanamine (CID 131032773) is (1S)-1-(2-fluoro-5-iodophenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-fluoro-5-iodophenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-fluoro-5-iodophenyl)ethanamine is C[C@H](N)c1cc(I)ccc1F.
What is the InChIKey of (1S)-1-(2-fluoro-5-iodophenyl)ethanamine?
The InChIKey is YICUGWXOZPRUFR-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9FIN/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5H,11H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-5-iodophenyl)ethanamine?
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine has a molecular weight of 265.07 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-5-iodophenyl)ethanamine is sourced from PubChem (CID 131032773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).