2-(3-fluoro-2-nitroanilino)propan-1-ol

C9H11FN2O3 — CID 60789950

IUPAC2-(3-fluoro-2-nitroanilino)propan-1-ol
SMILESCC(CO)Nc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O3/c1-6(5-13)11-8-4-2-3-7(10)9(8)12(14)15/h2-4,6,11,13H,5H2,1H3
InChIKeyBBNRIFDJNWNGPI-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.53
Rot. Bonds4

About 2-(3-fluoro-2-nitroanilino)propan-1-ol

2-(3-fluoro-2-nitroanilino)propan-1-ol (PubChem CID 60789950) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-(3-fluoro-2-nitroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-2-nitroanilino)propan-1-ol
PubChem CID60789950
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name2-(3-fluoro-2-nitroanilino)propan-1-ol
SMILESCC(CO)Nc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O3/c1-6(5-13)11-8-4-2-3-7(10)9(8)12(14)15/h2-4,6,11,13H,5H2,1H3
InChIKeyBBNRIFDJNWNGPI-UHFFFAOYSA-N
XLogP1.53
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.53
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'}

Analyze 2-(3-fluoro-2-nitroanilino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluoro-2-nitroanilino)butan-1-ol
CID 79003358
2-N-(3-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733586
3-fluoro-N-heptan-2-yl-2-nitroaniline
CID 55220443
2-(5-bromo-3-fluoro-2-nitroanilino)propan-1-ol
CID 146219857
3-fluoro-N-(4-methylsulfinylbutan-2-yl)-2-nitroaniline
CID 115715195
methyl 2-(3-fluoro-2-nitroanilino)propanoate
CID 60790084
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-nitroaniline
CID 61226059
(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
CID 16659475
2-[3-(methylamino)-2-nitroanilino]propane-1,3-diol
CID 80842073
3-methyl-2-[3-(methylamino)-2-nitroanilino]butan-1-ol
CID 80848426
3-(3-methyl-2-nitroanilino)butan-1-ol
CID 102605197
3-amino-4-(3-fluoro-2-nitroanilino)butan-2-ol
CID 64541514

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-nitroanilino)propan-1-ol?
The IUPAC name of 2-(3-fluoro-2-nitroanilino)propan-1-ol (CID 60789950) is 2-(3-fluoro-2-nitroanilino)propan-1-ol.
What is the SMILES notation for 2-(3-fluoro-2-nitroanilino)propan-1-ol?
The canonical SMILES for 2-(3-fluoro-2-nitroanilino)propan-1-ol is CC(CO)Nc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-fluoro-2-nitroanilino)propan-1-ol?
The InChIKey is BBNRIFDJNWNGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-6(5-13)11-8-4-2-3-7(10)9(8)12(14)15/h2-4,6,11,13H,5H2,1H3.
What are the key properties of 2-(3-fluoro-2-nitroanilino)propan-1-ol?
2-(3-fluoro-2-nitroanilino)propan-1-ol has a molecular weight of 214.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-nitroanilino)propan-1-ol is sourced from PubChem (CID 60789950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).