(2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol

C8H9FINO — CID 148832712

IUPAC(2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol
SMILESOC[C@H](NI)c1ccc(F)cc1
InChIInChI=1S/C8H9FINO/c9-7-3-1-6(2-4-7)8(5-12)11-10/h1-4,8,11-12H,5H2/t8-/m0/s1
InChIKeyOTZMXGVRUNXNGI-QMMMGPOBSA-N
MW281.07 g/mol
LogP1.80
Rot. Bonds3

About (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol

(2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol (PubChem CID 148832712) has the molecular formula C8H9FINO and a molecular weight of 281.07 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol
PubChem CID148832712
Molecular FormulaC8H9FINO
Molecular Weight281.07 g/mol
Exact Mass280.97
IUPAC Name(2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol
SMILESOC[C@H](NI)c1ccc(F)cc1
InChIInChI=1S/C8H9FINO/c9-7-3-1-6(2-4-7)8(5-12)11-10/h1-4,8,11-12H,5H2/t8-/m0/s1
InChIKeyOTZMXGVRUNXNGI-QMMMGPOBSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 46869838
N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide
CID 70220790
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-chloro-2-(4-fluorophenyl)ethanol
CID 57194845
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
2-(4-fluoroanilino)-2-(4-nitrophenyl)ethanol
CID 75238031
(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol
CID 107862205
3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol
CID 113484764
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol (CID 148832712) is (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol is OC[C@H](NI)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol?
The InChIKey is OTZMXGVRUNXNGI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9FINO/c9-7-3-1-6(2-4-7)8(5-12)11-10/h1-4,8,11-12H,5H2/t8-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol?
(2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol has a molecular weight of 281.07 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol is sourced from PubChem (CID 148832712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).