2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol

C6H7F2N3O3 — CID 14853144

IUPAC2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol
SMILESO=[N+]([O-])c1nccn1CC(F)(F)CO
InChIInChI=1S/C6H7F2N3O3/c7-6(8,4-12)3-10-2-1-9-5(10)11(13)14/h1-2,12H,3-4H2
InChIKeyPOOGHAVVCGMZGC-UHFFFAOYSA-N
MW207.14 g/mol
LogP0.42
Rot. Bonds4

About 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol

2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol (PubChem CID 14853144) has the molecular formula C6H7F2N3O3 and a molecular weight of 207.14 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol
PubChem CID14853144
Molecular FormulaC6H7F2N3O3
Molecular Weight207.14 g/mol
Exact Mass207.05
IUPAC Name2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol
SMILESO=[N+]([O-])c1nccn1CC(F)(F)CO
InChIInChI=1S/C6H7F2N3O3/c7-6(8,4-12)3-10-2-1-9-5(10)11(13)14/h1-2,12H,3-4H2
InChIKeyPOOGHAVVCGMZGC-UHFFFAOYSA-N
XLogP0.42
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 50.42
H-Bond Donors ≤ 51
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-nitro-1-(2,2,3,3-tetrafluoropentyl)imidazole
CID 89204498
1-ethyl-2-nitroimidazole
CID 19802537
(2S)-3-(2-nitroimidazol-1-yl)(214C)propane-1,2-diol
CID 10702803
(2R)-3-(2-nitroimidazol-1-yl)propane-1,2-diol
CID 76966824
2-(2-nitroimidazol-1-yl)-N-(2,2,3,3,3-penta(18F)fluoropropyl)acetamide
CID 112500504
potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide
CID 23675502
2-(2-nitroimidazol-1-yl)ethanimidamide
CID 121403945
N-methyl-2-(2-nitroimidazol-1-yl)acetamide
CID 20667794
N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 19696750
2-methyl-N-[2-(2-nitroimidazol-1-yl)ethyl]propan-2-amine
CID 164724280
1-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-3-(2-nitroimidazol-1-yl)propan-2-ol
CID 21111679
methyl 3-(2-nitroimidazol-1-yl)propanoate
CID 15749951

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol (CID 14853144) is 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol is O=[N+]([O-])c1nccn1CC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol?
The InChIKey is POOGHAVVCGMZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O3/c7-6(8,4-12)3-10-2-1-9-5(10)11(13)14/h1-2,12H,3-4H2.
What are the key properties of 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol?
2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol has a molecular weight of 207.14 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-nitroimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 14853144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).