4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride

C8H9ClFI2NO — CID 171215816

IUPAC4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride
SMILESCl.N[C@H](CF)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C8H8FI2NO.ClH/c9-3-7(12)4-1-5(10)8(13)6(11)2-4;/h1-2,7,13H,3,12H2;1H/t7-;/m1./s1
InChIKeyRBPWGURRZXUFCM-OGFXRTJISA-N
MW443.43 g/mol
LogP2.99
Rot. Bonds2

About 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride

4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride (PubChem CID 171215816) has the molecular formula C8H9ClFI2NO and a molecular weight of 443.43 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride
PubChem CID171215816
Molecular FormulaC8H9ClFI2NO
Molecular Weight443.43 g/mol
Exact Mass442.84
IUPAC Name4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride
SMILESCl.N[C@H](CF)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C8H8FI2NO.ClH/c9-3-7(12)4-1-5(10)8(13)6(11)2-4;/h1-2,7,13H,3,12H2;1H/t7-;/m1./s1
InChIKeyRBPWGURRZXUFCM-OGFXRTJISA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-1-amino-4,4,4-trifluorobutyl]-2,6-diiodophenol;hydrochloride
CID 171235469
4-[(1S)-1-aminobutyl]-2,6-diiodophenol
CID 130705727
4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride
CID 171215822
4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol
CID 171215819
4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
CID 171224787
4-[(1S)-1,5-diaminopentyl]-2,6-diiodophenol
CID 171235454
4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol
CID 130731072
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
CID 171244914
4-[(1R)-1,2-diaminoethyl]-2-iodo-6-methoxyphenol
CID 131213942
methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride
CID 171235485
4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol
CID 130731094
2,6-diiodo-4-(1-iodopropan-2-yl)phenol
CID 170052674

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride (CID 171215816) is 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride is Cl.N[C@H](CF)c1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride?
The InChIKey is RBPWGURRZXUFCM-OGFXRTJISA-N. The full InChI is InChI=1S/C8H8FI2NO.ClH/c9-3-7(12)4-1-5(10)8(13)6(11)2-4;/h1-2,7,13H,3,12H2;1H/t7-;/m1./s1.
What are the key properties of 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride?
4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride has a molecular weight of 443.43 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride is sourced from PubChem (CID 171215816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).