(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol

C8H9FN2O3 — CID 66514219

IUPAC(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
SMILESN[C@@H](CO)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H9FN2O3/c9-7-3-5(11(13)14)1-2-6(7)8(10)4-12/h1-3,8,12H,4,10H2/t8-/m0/s1
InChIKeyCGRLXQIAHHLTCA-QMMMGPOBSA-N
MW200.17 g/mol
LogP0.73
Rot. Bonds3

About (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol

(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol (PubChem CID 66514219) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
PubChem CID66514219
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
SMILESN[C@@H](CO)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H9FN2O3/c9-7-3-5(11(13)14)1-2-6(7)8(10)4-12/h1-3,8,12H,4,10H2/t8-/m0/s1
InChIKeyCGRLXQIAHHLTCA-QMMMGPOBSA-N
XLogP0.73
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(2-fluoro-5-nitrophenyl)propan-1-ol;hydrochloride
CID 170874535
3-(2-fluoro-4-nitrophenyl)pentan-2-ol
CID 63201531
2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
CID 77129849
(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
CID 16659475
2-(2-fluoro-4-nitrophenyl)pentan-3-one
CID 63549818
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
2-(2-fluoro-4-nitrophenyl)-4-methylpentanoic acid
CID 104571746
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
1-(2-amino-5-nitrophenyl)ethane-1,2-diol
CID 11321550
2-(2-fluoro-4-nitrophenyl)-3-phenylpropanoic acid
CID 104571575
(3S)-3-amino-3-(2-fluoro-5-nitrophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241616

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol (CID 66514219) is (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol is N[C@@H](CO)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol?
The InChIKey is CGRLXQIAHHLTCA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-7-3-5(11(13)14)1-2-6(7)8(10)4-12/h1-3,8,12H,4,10H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol?
(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol has a molecular weight of 200.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol is sourced from PubChem (CID 66514219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).