3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol

C10H13FN2O4 — CID 107349266

IUPAC3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol
SMILESO=[N+]([O-])c1cccc(CNCC(O)CO)c1F
InChIInChI=1S/C10H13FN2O4/c11-10-7(4-12-5-8(15)6-14)2-1-3-9(10)13(16)17/h1-3,8,12,14-15H,4-6H2
InChIKeyLMUDUCKVIPUHGD-UHFFFAOYSA-N
MW244.22 g/mol
LogP0.18
Rot. Bonds6

About 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol

3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol (PubChem CID 107349266) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol
PubChem CID107349266
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol
SMILESO=[N+]([O-])c1cccc(CNCC(O)CO)c1F
InChIInChI=1S/C10H13FN2O4/c11-10-7(4-12-5-8(15)6-14)2-1-3-9(10)13(16)17/h1-3,8,12,14-15H,4-6H2
InChIKeyLMUDUCKVIPUHGD-UHFFFAOYSA-N
XLogP0.18
TPSA95.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol
CID 107348946
2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350087
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 107349107
1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
CID 107349234
4-[(2-fluoro-3-nitrophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 106146699
3-[(2-fluoro-3-nitrophenyl)methylamino]-3-methylbutan-2-ol
CID 107349471
3-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160682
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
4-methyl-1-[(2-nitrophenyl)methylamino]pentan-2-ol
CID 103637396
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 107348887
CID 159928766
CID 159928766
3-[(2-fluoro-3-nitrophenyl)methylamino]-N-propan-2-ylpropanamide
CID 107349417

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol (CID 107349266) is 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol is O=[N+]([O-])c1cccc(CNCC(O)CO)c1F.
What is the InChIKey of 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol?
The InChIKey is LMUDUCKVIPUHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c11-10-7(4-12-5-8(15)6-14)2-1-3-9(10)13(16)17/h1-3,8,12,14-15H,4-6H2.
What are the key properties of 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol?
3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol has a molecular weight of 244.22 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 107349266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).