(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol

C8H9FINO — CID 66515738

IUPAC(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
SMILESN[C@@H](CO)c1ccc(I)c(F)c1
InChIInChI=1S/C8H9FINO/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,11H2/t8-/m0/s1
InChIKeyWTFLTGCPZPSCLT-QMMMGPOBSA-N
MW281.07 g/mol
LogP1.42
Rot. Bonds2

About (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol

(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol (PubChem CID 66515738) has the molecular formula C8H9FINO and a molecular weight of 281.07 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
PubChem CID66515738
Molecular FormulaC8H9FINO
Molecular Weight281.07 g/mol
Exact Mass280.97
IUPAC Name(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
SMILESN[C@@H](CO)c1ccc(I)c(F)c1
InChIInChI=1S/C8H9FINO/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,11H2/t8-/m0/s1
InChIKeyWTFLTGCPZPSCLT-QMMMGPOBSA-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

2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
CID 55273327
(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol
CID 66515891
(3R)-3-amino-3-(3-fluoro-4-iodophenyl)propanenitrile
CID 130655907
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol (CID 66515738) is (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol is N[C@@H](CO)c1ccc(I)c(F)c1.
What is the InChIKey of (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol?
The InChIKey is WTFLTGCPZPSCLT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9FINO/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,11H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol?
(2R)-2-amino-2-(3-fluoro-4-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 (2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol is sourced from PubChem (CID 66515738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).