(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride

C12H16ClFINO — CID 171266069

IUPAC(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1cc(I)ccc1F)[C@@H](O)C1CCC1
InChIInChI=1S/C12H15FINO.ClH/c13-10-5-4-8(14)6-9(10)11(15)12(16)7-2-1-3-7;/h4-7,11-12,16H,1-3,15H2;1H/t11-,12+;/m1./s1
InChIKeyCMBZOEITVPHWDN-LYCTWNKOSA-N
MW371.62 g/mol
LogP3.01
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride (PubChem CID 171266069) has the molecular formula C12H16ClFINO and a molecular weight of 371.62 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
PubChem CID171266069
Molecular FormulaC12H16ClFINO
Molecular Weight371.62 g/mol
Exact Mass370.99
IUPAC Name(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1cc(I)ccc1F)[C@@H](O)C1CCC1
InChIInChI=1S/C12H15FINO.ClH/c13-10-5-4-8(14)6-9(10)11(15)12(16)7-2-1-3-7;/h4-7,11-12,16H,1-3,15H2;1H/t11-,12+;/m1./s1
InChIKeyCMBZOEITVPHWDN-LYCTWNKOSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 53.01
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

(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266073
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266067
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
(1R,2S)-2-amino-1-cyclobutyl-2-(2,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161583
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171161475
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171160046
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171161479
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-5-methoxyphenyl)ethanol
CID 171161474
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171266075

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride (CID 171266069) is (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride is Cl.N[C@H](c1cc(I)ccc1F)[C@@H](O)C1CCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
The InChIKey is CMBZOEITVPHWDN-LYCTWNKOSA-N. The full InChI is InChI=1S/C12H15FINO.ClH/c13-10-5-4-8(14)6-9(10)11(15)12(16)7-2-1-3-7;/h4-7,11-12,16H,1-3,15H2;1H/t11-,12+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride has a molecular weight of 371.62 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171266069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).