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

C11H14ClFINO — CID 171266067

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1cc(I)ccc1F)[C@@H](O)C1CC1
InChIInChI=1S/C11H13FINO.ClH/c12-9-4-3-7(13)5-8(9)10(14)11(15)6-1-2-6;/h3-6,10-11,15H,1-2,14H2;1H/t10-,11+;/m1./s1
InChIKeyXDGJZWXVBJLWSV-DHXVBOOMSA-N
MW357.59 g/mol
LogP2.62
Rot. Bonds3

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

(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride (PubChem CID 171266067) has the molecular formula C11H14ClFINO and a molecular weight of 357.59 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
PubChem CID171266067
Molecular FormulaC11H14ClFINO
Molecular Weight357.59 g/mol
Exact Mass356.98
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1cc(I)ccc1F)[C@@H](O)C1CC1
InChIInChI=1S/C11H13FINO.ClH/c12-9-4-3-7(13)5-8(9)10(14)11(15)6-1-2-6;/h3-6,10-11,15H,1-2,14H2;1H/t10-,11+;/m1./s1
InChIKeyXDGJZWXVBJLWSV-DHXVBOOMSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 52.62
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-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266069
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266073
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171266075
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-5-methoxyphenyl)ethanol
CID 171161480
(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
2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid
CID 175669148
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
CID 171261933
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171161475

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride (CID 171266067) is (1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride is Cl.N[C@H](c1cc(I)ccc1F)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
The InChIKey is XDGJZWXVBJLWSV-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H13FINO.ClH/c12-9-4-3-7(13)5-8(9)10(14)11(15)6-1-2-6;/h3-6,10-11,15H,1-2,14H2;1H/t10-,11+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride has a molecular weight of 357.59 g/mol, XLogP of 2.62, 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-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171266067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).