2-amino-2-(5-fluoro-2-nitrophenyl)ethanol

C8H9FN2O3 — CID 77129849

IUPAC2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
SMILESNC(CO)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O3/c9-5-1-2-8(11(13)14)6(3-5)7(10)4-12/h1-3,7,12H,4,10H2
InChIKeyMQHNYQXPVIGQLJ-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.73
Rot. Bonds3

About 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol

2-amino-2-(5-fluoro-2-nitrophenyl)ethanol (PubChem CID 77129849) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
PubChem CID77129849
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
SMILESNC(CO)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O3/c9-5-1-2-8(11(13)14)6(3-5)7(10)4-12/h1-3,7,12H,4,10H2
InChIKeyMQHNYQXPVIGQLJ-UHFFFAOYSA-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

(4S)-4-amino-4-(5-fluoro-2-nitrophenyl)butan-1-ol
CID 171225623
(2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol
CID 130648335
(1R)-3,3-difluoro-1-(5-fluoro-2-nitrophenyl)propan-1-amine;hydrochloride
CID 171313687
(2S)-2-amino-2-(5-methyl-2-nitrophenyl)ethanol
CID 130607743
(1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine
CID 171205999
(1R)-1-(5-fluoro-2-nitrophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171206039
(3S)-3-amino-2,2-difluoro-3-(5-fluoro-2-nitrophenyl)propan-1-ol
CID 171248356
(1S)-2,2-difluoro-1-(5-fluoro-2-nitrophenyl)ethanamine;hydrochloride
CID 171248349
(1S)-2,2,2-trifluoro-1-(5-fluoro-2-nitrophenyl)ethanamine
CID 66510268
(1S)-1-(5-fluoro-2-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131466473
(1R)-1-(5-fluoro-2-nitrophenyl)prop-2-en-1-amine;hydrochloride
CID 171206003
(1S)-1-(5-fluoro-2-nitrophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171225614

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol?
The IUPAC name of 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol (CID 77129849) is 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol?
The canonical SMILES for 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol is NC(CO)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol?
The InChIKey is MQHNYQXPVIGQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-5-1-2-8(11(13)14)6(3-5)7(10)4-12/h1-3,7,12H,4,10H2.
What are the key properties of 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol?
2-amino-2-(5-fluoro-2-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 2-amino-2-(5-fluoro-2-nitrophenyl)ethanol is sourced from PubChem (CID 77129849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).