5-(1-amino-2-fluoroethyl)-2-nitrophenol

C8H9FN2O3 — CID 131057445

IUPAC5-(1-amino-2-fluoroethyl)-2-nitrophenol
SMILESNC(CF)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C8H9FN2O3/c9-4-6(10)5-1-2-7(11(13)14)8(12)3-5/h1-3,6,12H,4,10H2
InChIKeySMRSNRDVAJRGIF-UHFFFAOYSA-N
MW200.17 g/mol
LogP1.27
Rot. Bonds3

About 5-(1-amino-2-fluoroethyl)-2-nitrophenol

5-(1-amino-2-fluoroethyl)-2-nitrophenol (PubChem CID 131057445) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 5-(1-amino-2-fluoroethyl)-2-nitrophenol.

Molecular Properties

Compound Name5-(1-amino-2-fluoroethyl)-2-nitrophenol
PubChem CID131057445
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name5-(1-amino-2-fluoroethyl)-2-nitrophenol
SMILESNC(CF)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C8H9FN2O3/c9-4-6(10)5-1-2-7(11(13)14)8(12)3-5/h1-3,6,12H,4,10H2
InChIKeySMRSNRDVAJRGIF-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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

4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol
CID 130623751
(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride
CID 171225891
4-[(1S)-1-amino-3,3-difluoropropyl]-2-nitrophenol;hydrochloride
CID 171312862
3-bromo-1-(3-hydroxy-4-nitrophenyl)propane-1,2-diol
CID 171860481
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-nitrophenol;hydrochloride
CID 171219475
4-[(1R)-1,4-diaminobutyl]-2-nitrophenol;hydrochloride
CID 171199926
4-[(1R)-1-aminobut-3-enyl]-2-nitrophenol
CID 171199934
4-[(1S)-1-amino-4-methylpentyl]-2-nitrophenol;hydrochloride
CID 171219495
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-nitrophenol
CID 171199962
2-[(1S)-1-amino-2-fluoroethyl]-6-methyl-3-nitrophenol
CID 131613871
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
ethyl 3,4-dihydroxy-4-(3-hydroxy-4-nitrophenyl)butanoate
CID 171897881

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-fluoroethyl)-2-nitrophenol?
The IUPAC name of 5-(1-amino-2-fluoroethyl)-2-nitrophenol (CID 131057445) is 5-(1-amino-2-fluoroethyl)-2-nitrophenol.
What is the SMILES notation for 5-(1-amino-2-fluoroethyl)-2-nitrophenol?
The canonical SMILES for 5-(1-amino-2-fluoroethyl)-2-nitrophenol is NC(CF)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of 5-(1-amino-2-fluoroethyl)-2-nitrophenol?
The InChIKey is SMRSNRDVAJRGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-4-6(10)5-1-2-7(11(13)14)8(12)3-5/h1-3,6,12H,4,10H2.
What are the key properties of 5-(1-amino-2-fluoroethyl)-2-nitrophenol?
5-(1-amino-2-fluoroethyl)-2-nitrophenol has a molecular weight of 200.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-fluoroethyl)-2-nitrophenol is sourced from PubChem (CID 131057445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).