2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol

C11H13FN2O3 — CID 71995986

IUPAC2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol
SMILESC=CCN(CCO)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O3/c1-2-5-13(6-7-15)10-4-3-9(12)8-11(10)14(16)17/h2-4,8,15H,1,5-7H2
InChIKeyHLFOYTZJUDXWDJ-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.72
Rot. Bonds6

About 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol

2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol (PubChem CID 71995986) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol
PubChem CID71995986
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol
SMILESC=CCN(CCO)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O3/c1-2-5-13(6-7-15)10-4-3-9(12)8-11(10)14(16)17/h2-4,8,15H,1,5-7H2
InChIKeyHLFOYTZJUDXWDJ-UHFFFAOYSA-N
XLogP1.72
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(4-methylsulfonyl-2-nitro-N-prop-2-enylanilino)ethanol
CID 115658395
5-fluoro-2-[2-hydroxyethyl(prop-2-enyl)amino]benzonitrile
CID 115744685
2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]-prop-2-enylamino]ethanol
CID 106750095
[4-[bis(prop-2-enyl)amino]-2-fluoro-5-nitrophenyl]methanol
CID 59395155
4-[2-methoxyethyl(prop-2-enyl)amino]-3-nitrobenzoic acid
CID 103339112
2-(4-carbamoyl-2-nitro-N-prop-2-enylanilino)acetic acid
CID 79264114
3-(2-nitro-N-prop-2-enylanilino)propanoic acid
CID 121010017
ethane;2-fluoro-1-N-[(4-fluorophenyl)methyl]-4-nitro-1-N-prop-2-enylbenzene-1,3-diamine
CID 145417322
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
3-fluoro-4-[2-hydroxyethyl(prop-2-enyl)amino]benzonitrile
CID 115744735
3-(4-fluoro-N-methyl-2-nitroanilino)propanoic acid
CID 60986759
ethyl 2-(N-ethyl-4-fluoro-2-nitroanilino)acetate
CID 62005884

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol?
The IUPAC name of 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol (CID 71995986) is 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol.
What is the SMILES notation for 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol?
The canonical SMILES for 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol is C=CCN(CCO)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol?
The InChIKey is HLFOYTZJUDXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-2-5-13(6-7-15)10-4-3-9(12)8-11(10)14(16)17/h2-4,8,15H,1,5-7H2.
What are the key properties of 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol?
2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol has a molecular weight of 240.23 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-nitro-N-prop-2-enylanilino)ethanol is sourced from PubChem (CID 71995986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).