2-amino-2-(3-fluoro-2-iodophenyl)ethanol

C8H9FINO — CID 130043805

IUPAC2-amino-2-(3-fluoro-2-iodophenyl)ethanol
SMILESNC(CO)c1cccc(F)c1I
InChIInChI=1S/C8H9FINO/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-3,7,12H,4,11H2
InChIKeyQYSUMBHCDAZAQW-UHFFFAOYSA-N
MW281.07 g/mol
LogP1.42
Rot. Bonds2

About 2-amino-2-(3-fluoro-2-iodophenyl)ethanol

2-amino-2-(3-fluoro-2-iodophenyl)ethanol (PubChem CID 130043805) has the molecular formula C8H9FINO and a molecular weight of 281.07 g/mol. Its IUPAC name is 2-amino-2-(3-fluoro-2-iodophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-fluoro-2-iodophenyl)ethanol
PubChem CID130043805
Molecular FormulaC8H9FINO
Molecular Weight281.07 g/mol
Exact Mass280.97
IUPAC Name2-amino-2-(3-fluoro-2-iodophenyl)ethanol
SMILESNC(CO)c1cccc(F)c1I
InChIInChI=1S/C8H9FINO/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-3,7,12H,4,11H2
InChIKeyQYSUMBHCDAZAQW-UHFFFAOYSA-N
XLogP1.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 51.42
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

(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
2-amino-2-(2-amino-3-fluorophenyl)ethanol
CID 55283031
2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
CID 84672964
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol
CID 130642368
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol
CID 144615590
(2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol
CID 96754178
(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 171222588
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
3-[(1S)-1-amino-2-hydroxyethyl]-2-fluorobenzoic acid
CID 66514170

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluoro-2-iodophenyl)ethanol?
The IUPAC name of 2-amino-2-(3-fluoro-2-iodophenyl)ethanol (CID 130043805) is 2-amino-2-(3-fluoro-2-iodophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-fluoro-2-iodophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-fluoro-2-iodophenyl)ethanol is NC(CO)c1cccc(F)c1I.
What is the InChIKey of 2-amino-2-(3-fluoro-2-iodophenyl)ethanol?
The InChIKey is QYSUMBHCDAZAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FINO/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-3,7,12H,4,11H2.
What are the key properties of 2-amino-2-(3-fluoro-2-iodophenyl)ethanol?
2-amino-2-(3-fluoro-2-iodophenyl)ethanol has a molecular weight of 281.07 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-fluoro-2-iodophenyl)ethanol is sourced from PubChem (CID 130043805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).