(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol

C8H8F2INO — CID 66515682

IUPAC(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
SMILESN[C@@H](CO)c1c(F)cc(I)cc1F
InChIInChI=1S/C8H8F2INO/c9-5-1-4(11)2-6(10)8(5)7(12)3-13/h1-2,7,13H,3,12H2/t7-/m0/s1
InChIKeyDYJQEFYWQBKBQN-ZETCQYMHSA-N
MW299.06 g/mol
LogP1.56
Rot. Bonds2

About (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol

(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol (PubChem CID 66515682) has the molecular formula C8H8F2INO and a molecular weight of 299.06 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
PubChem CID66515682
Molecular FormulaC8H8F2INO
Molecular Weight299.06 g/mol
Exact Mass298.96
IUPAC Name(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
SMILESN[C@@H](CO)c1c(F)cc(I)cc1F
InChIInChI=1S/C8H8F2INO/c9-5-1-4(11)2-6(10)8(5)7(12)3-13/h1-2,7,13H,3,12H2/t7-/m0/s1
InChIKeyDYJQEFYWQBKBQN-ZETCQYMHSA-N
XLogP1.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.06
LogP ≤ 51.56
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

(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol
CID 66513917
2-amino-2-(3,5-diiodophenyl)ethanol
CID 130000796
2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
CID 162344202
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride
CID 171253179
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid
CID 130605598
2-amino-2-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117302615
(2S)-2-amino-2-(2-amino-3,5,6-trifluorophenyl)ethanol
CID 66514091
(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
CID 66515738

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol (CID 66515682) is (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol is N[C@@H](CO)c1c(F)cc(I)cc1F.
What is the InChIKey of (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol?
The InChIKey is DYJQEFYWQBKBQN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8F2INO/c9-5-1-4(11)2-6(10)8(5)7(12)3-13/h1-2,7,13H,3,12H2/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol?
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol has a molecular weight of 299.06 g/mol, XLogP of 1.56, 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-(2,6-difluoro-4-iodophenyl)ethanol is sourced from PubChem (CID 66515682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).