(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride

C9H12ClFINO — CID 171216211

IUPAC(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1cc(I)ccc1F
InChIInChI=1S/C9H11FINO.ClH/c10-8-2-1-6(11)5-7(8)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H/t9-;/m1./s1
InChIKeyNPFIKGOIKAGBPX-SBSPUUFOSA-N
MW331.56 g/mol
LogP2.23
Rot. Bonds3

About (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride (PubChem CID 171216211) has the molecular formula C9H12ClFINO and a molecular weight of 331.56 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
PubChem CID171216211
Molecular FormulaC9H12ClFINO
Molecular Weight331.56 g/mol
Exact Mass330.96
IUPAC Name(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1cc(I)ccc1F
InChIInChI=1S/C9H11FINO.ClH/c10-8-2-1-6(11)5-7(8)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H/t9-;/m1./s1
InChIKeyNPFIKGOIKAGBPX-SBSPUUFOSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
CID 171216213
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171235808
(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174
(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine
CID 171235810
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
3-(1-amino-3-hydroxypropyl)-4-fluorobenzonitrile
CID 55295827

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride (CID 171216211) is (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride is Cl.N[C@H](CCO)c1cc(I)ccc1F.
What is the InChIKey of (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride?
The InChIKey is NPFIKGOIKAGBPX-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H11FINO.ClH/c10-8-2-1-6(11)5-7(8)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride has a molecular weight of 331.56 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171216211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).