4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol

C8H9FN2O3 — CID 130623751

IUPAC4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol
SMILESN[C@H](CF)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9FN2O3/c9-4-6(10)5-1-2-8(12)7(3-5)11(13)14/h1-3,6,12H,4,10H2/t6-/m1/s1
InChIKeyLDCVIIOBFGNWSG-ZCFIWIBFSA-N
MW200.17 g/mol
LogP1.27
Rot. Bonds3

About 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol

4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol (PubChem CID 130623751) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol
PubChem CID130623751
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol
SMILESN[C@H](CF)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9FN2O3/c9-4-6(10)5-1-2-8(12)7(3-5)11(13)14/h1-3,6,12H,4,10H2/t6-/m1/s1
InChIKeyLDCVIIOBFGNWSG-ZCFIWIBFSA-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

5-(1-amino-2-fluoroethyl)-2-nitrophenol
CID 131057445
4-[(1S)-1-amino-3,3-difluoropropyl]-2-nitrophenol;hydrochloride
CID 171312862
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
4-[(1R)-1-aminohexyl]-2-nitrophenol;hydrochloride
CID 171199939
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-nitrophenol;hydrochloride
CID 171199963
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-nitrophenol;hydrochloride
CID 171219491
(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride
CID 171225891
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-nitrophenol
CID 66511298

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol?
The IUPAC name of 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol (CID 130623751) is 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol.
What is the SMILES notation for 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol?
The canonical SMILES for 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol is N[C@H](CF)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol?
The InChIKey is LDCVIIOBFGNWSG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-4-6(10)5-1-2-8(12)7(3-5)11(13)14/h1-3,6,12H,4,10H2/t6-/m1/s1.
What are the key properties of 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol?
4-[(1S)-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 4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol is sourced from PubChem (CID 130623751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).