(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine

C8H8ClFIN — CID 130942031

IUPAC(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1ccc(I)c(Cl)c1
InChIInChI=1S/C8H8ClFIN/c9-6-3-5(8(12)4-10)1-2-7(6)11/h1-3,8H,4,12H2/t8-/m1/s1
InChIKeyMOPQMBVEMKUZBK-MRVPVSSYSA-N
MW299.51 g/mol
LogP2.91
Rot. Bonds2

About (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine

(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine (PubChem CID 130942031) has the molecular formula C8H8ClFIN and a molecular weight of 299.51 g/mol. Its IUPAC name is (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
PubChem CID130942031
Molecular FormulaC8H8ClFIN
Molecular Weight299.51 g/mol
Exact Mass298.94
IUPAC Name(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1ccc(I)c(Cl)c1
InChIInChI=1S/C8H8ClFIN/c9-6-3-5(8(12)4-10)1-2-7(6)11/h1-3,8H,4,12H2/t8-/m1/s1
InChIKeyMOPQMBVEMKUZBK-MRVPVSSYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.51
LogP ≤ 52.91
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

1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216603
1-(3-chloro-4-iodophenyl)decan-1-amine
CID 103214875
1-(3-chloro-4-iodophenyl)octan-1-amine
CID 103214882
1-(3-chloro-4-iodophenyl)pent-4-en-1-amine
CID 103215445
1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine
CID 103216088
1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine
CID 103215566
2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103214557
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171234863
(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 103215160
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine?
The IUPAC name of (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine (CID 130942031) is (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine.
What is the SMILES notation for (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine?
The canonical SMILES for (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine is N[C@H](CF)c1ccc(I)c(Cl)c1.
What is the InChIKey of (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine?
The InChIKey is MOPQMBVEMKUZBK-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8ClFIN/c9-6-3-5(8(12)4-10)1-2-7(6)11/h1-3,8H,4,12H2/t8-/m1/s1.
What are the key properties of (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine?
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine has a molecular weight of 299.51 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine is sourced from PubChem (CID 130942031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).