2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol

C8H10FN3O3 — CID 66517594

IUPAC2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol
SMILESNC[C@H](N)c1cc([N+](=O)[O-])cc(F)c1O
InChIInChI=1S/C8H10FN3O3/c9-6-2-4(12(14)15)1-5(8(6)13)7(11)3-10/h1-2,7,13H,3,10-11H2/t7-/m0/s1
InChIKeyRXLBJFFXQNHBOE-ZETCQYMHSA-N
MW215.18 g/mol
LogP0.40
Rot. Bonds3

About 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol

2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol (PubChem CID 66517594) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol.

Molecular Properties

Compound Name2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol
PubChem CID66517594
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol
SMILESNC[C@H](N)c1cc([N+](=O)[O-])cc(F)c1O
InChIInChI=1S/C8H10FN3O3/c9-6-2-4(12(14)15)1-5(8(6)13)7(11)3-10/h1-2,7,13H,3,10-11H2/t7-/m0/s1
InChIKeyRXLBJFFXQNHBOE-ZETCQYMHSA-N
XLogP0.40
TPSA115.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-aminopropyl]-6-fluoro-4-nitrophenol
CID 131529653
2-[(1S)-1-aminobut-3-enyl]-6-fluoro-4-nitrophenol;hydrochloride
CID 171254684
2-(1-aminoethyl)-6-fluoro-4-nitrophenol
CID 117289050
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluoro-4-nitrophenol
CID 171254705
2-[(1R)-1-amino-2-fluoroethyl]-6-bromo-4-nitrophenol;hydrochloride
CID 171232884
2-bromo-6-[(1S)-1,5-diaminopentyl]-4-nitrophenol
CID 171232890
methyl 2-(3-fluoro-2-hydroxy-5-nitrophenyl)-2-hydroxyacetate
CID 117364125
3-[(1R)-1,2-diaminoethyl]-5-fluoro-4-hydroxybenzoic acid
CID 66516774
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-nitrophenol;hydrochloride
CID 171258039
ethyl (3S)-3-amino-2,2-difluoro-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoate;hydrochloride
CID 171258022
3-[(1R)-1,2-diaminoethyl]-5-fluoro-4-hydroxybenzoic acid;hydrochloride
CID 171256127
2-[(1R)-1-amino-3,3,3-trifluoropropyl]-6-bromo-4-nitrophenol;hydrochloride
CID 171213288

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol?
The IUPAC name of 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol (CID 66517594) is 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol.
What is the SMILES notation for 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol?
The canonical SMILES for 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol is NC[C@H](N)c1cc([N+](=O)[O-])cc(F)c1O.
What is the InChIKey of 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol?
The InChIKey is RXLBJFFXQNHBOE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10FN3O3/c9-6-2-4(12(14)15)1-5(8(6)13)7(11)3-10/h1-2,7,13H,3,10-11H2/t7-/m0/s1.
What are the key properties of 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol?
2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol has a molecular weight of 215.18 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol is sourced from PubChem (CID 66517594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).