(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol

C8H11FN2O — CID 130642368

IUPAC(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol
SMILESNc1cccc([C@@H](N)CO)c1F
InChIInChI=1S/C8H11FN2O/c9-8-5(7(11)4-12)2-1-3-6(8)10/h1-3,7,12H,4,10-11H2/t7-/m0/s1
InChIKeyVKVRWLXQERMQSX-ZETCQYMHSA-N
MW170.19 g/mol
LogP0.40
Rot. Bonds2

About (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol

(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol (PubChem CID 130642368) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol
PubChem CID130642368
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol
SMILESNc1cccc([C@@H](N)CO)c1F
InChIInChI=1S/C8H11FN2O/c9-8-5(7(11)4-12)2-1-3-6(8)10/h1-3,7,12H,4,10-11H2/t7-/m0/s1
InChIKeyVKVRWLXQERMQSX-ZETCQYMHSA-N
XLogP0.40
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
2-amino-2-(2-amino-3-fluorophenyl)ethanol
CID 55283031
3-[(1S)-1-amino-2-hydroxyethyl]-2-fluorobenzoic acid
CID 66514170
3-[(1S)-1-amino-2-hydroxyethyl]-2-fluorobenzonitrile
CID 130884198
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
2-amino-2-(3-fluoro-2-iodophenyl)ethanol
CID 130043805
(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
CID 171225380
2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
CID 84672964
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol
CID 171880979
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol (CID 130642368) is (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol is Nc1cccc([C@@H](N)CO)c1F.
What is the InChIKey of (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol?
The InChIKey is VKVRWLXQERMQSX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-8-5(7(11)4-12)2-1-3-6(8)10/h1-3,7,12H,4,10-11H2/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol?
(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol has a molecular weight of 170.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol is sourced from PubChem (CID 130642368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).