(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol

C9H11FN2O3 — CID 16659475

IUPAC(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
SMILESC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C9H11FN2O3/c1-6(5-13)11-9-3-2-7(12(14)15)4-8(9)10/h2-4,6,11,13H,5H2,1H3/t6-/m1/s1
InChIKeyBADRMBQDNISHLA-ZCFIWIBFSA-N
MW214.20 g/mol
LogP1.53
Rot. Bonds4

About (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol

(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol (PubChem CID 16659475) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
PubChem CID16659475
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
SMILESC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C9H11FN2O3/c1-6(5-13)11-9-3-2-7(12(14)15)4-8(9)10/h2-4,6,11,13H,5H2,1H3/t6-/m1/s1
InChIKeyBADRMBQDNISHLA-ZCFIWIBFSA-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 (2R)-2-(2-fluoro-4-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

2-fluoro-N-(2-methylpentan-3-yl)-4-nitroaniline
CID 61472864
2-(2-fluoro-4-nitroanilino)pentanoic acid
CID 43631350
3-(2-fluoro-4-nitroanilino)pentan-1-ol
CID 113240569
N-but-3-yn-2-yl-2-fluoro-4-nitroaniline
CID 114383018
2-(3-fluoro-2-nitroanilino)propan-1-ol
CID 60789950
3-(2-fluoro-4-nitroanilino)-2-methylpropanoic acid
CID 62675552
3-(2-fluoro-4-nitroanilino)-3-methylbutan-2-ol
CID 115865832
2-(5-bromo-3-fluoro-2-nitroanilino)propan-1-ol
CID 146219857
2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
CID 75520155
2-(2-fluoro-4-nitroanilino)-1-piperidin-1-ylpropan-1-one
CID 115587014
2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide
CID 133311026
(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
CID 66514219

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol?
The IUPAC name of (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol (CID 16659475) is (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol.
What is the SMILES notation for (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol?
The canonical SMILES for (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol is C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol?
The InChIKey is BADRMBQDNISHLA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-6(5-13)11-9-3-2-7(12(14)15)4-8(9)10/h2-4,6,11,13H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol?
(2R)-2-(2-fluoro-4-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 (2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol is sourced from PubChem (CID 16659475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).