(1S)-1-(4-fluorophenyl)-1-iodoethanamine

C8H9FIN — CID 67127984

IUPAC(1S)-1-(4-fluorophenyl)-1-iodoethanamine
SMILESC[C@](N)(I)c1ccc(F)cc1
InChIInChI=1S/C8H9FIN/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,11H2,1H3/t8-/m1/s1
InChIKeyNCLHHHBBHAKNQI-MRVPVSSYSA-N
MW265.07 g/mol
LogP2.39
Rot. Bonds1

About (1S)-1-(4-fluorophenyl)-1-iodoethanamine

(1S)-1-(4-fluorophenyl)-1-iodoethanamine (PubChem CID 67127984) has the molecular formula C8H9FIN and a molecular weight of 265.07 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-1-iodoethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-1-iodoethanamine
PubChem CID67127984
Molecular FormulaC8H9FIN
Molecular Weight265.07 g/mol
Exact Mass264.98
IUPAC Name(1S)-1-(4-fluorophenyl)-1-iodoethanamine
SMILESC[C@](N)(I)c1ccc(F)cc1
InChIInChI=1S/C8H9FIN/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,11H2,1H3/t8-/m1/s1
InChIKeyNCLHHHBBHAKNQI-MRVPVSSYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127925
2-(4-fluorophenyl)propan-2-amine
CID 13025665
(1R)-1-iodo-1-phenylethanamine
CID 68727841
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
2-(4-fluorophenyl)propane-1,2-diamine
CID 116855534
1-(4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 60799030
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
CID 87894107
CID 87894107
2-(4-fluorophenyl)propan-2-ol
CID 637733
2-(4-fluorophenyl)pent-4-en-2-amine
CID 130060488
(3R)-3-amino-3-(4-fluorophenyl)butanenitrile
CID 131059334
1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-1-iodoethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-1-iodoethanamine (CID 67127984) is (1S)-1-(4-fluorophenyl)-1-iodoethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-1-iodoethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-1-iodoethanamine is C[C@](N)(I)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-1-iodoethanamine?
The InChIKey is NCLHHHBBHAKNQI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H9FIN/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,11H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-1-iodoethanamine?
(1S)-1-(4-fluorophenyl)-1-iodoethanamine has a molecular weight of 265.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-1-iodoethanamine is sourced from PubChem (CID 67127984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).