(2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol

C7H7ClF3N3O3 — CID 175252624

IUPAC(2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)n1C[C@@H](O)CCl
InChIInChI=1S/C7H7ClF3N3O3/c8-1-4(15)3-13-5(14(16)17)2-12-6(13)7(9,10)11/h2,4,15H,1,3H2/t4-/m0/s1
InChIKeyDYHJXBAGNMYDRS-BYPYZUCNSA-N
MW273.60 g/mol
LogP1.41
Rot. Bonds4

About (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol

(2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol (PubChem CID 175252624) has the molecular formula C7H7ClF3N3O3 and a molecular weight of 273.60 g/mol. Its IUPAC name is (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol
PubChem CID175252624
Molecular FormulaC7H7ClF3N3O3
Molecular Weight273.60 g/mol
Exact Mass273.01
IUPAC Name(2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)n1C[C@@H](O)CCl
InChIInChI=1S/C7H7ClF3N3O3/c8-1-4(15)3-13-5(14(16)17)2-12-6(13)7(9,10)11/h2,4,15H,1,3H2/t4-/m0/s1
InChIKeyDYHJXBAGNMYDRS-BYPYZUCNSA-N
XLogP1.41
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.60
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol (CID 175252624) is (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol is O=[N+]([O-])c1cnc(C(F)(F)F)n1C[C@@H](O)CCl.
What is the InChIKey of (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol?
The InChIKey is DYHJXBAGNMYDRS-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H7ClF3N3O3/c8-1-4(15)3-13-5(14(16)17)2-12-6(13)7(9,10)11/h2,4,15H,1,3H2/t4-/m0/s1.
What are the key properties of (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol?
(2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol has a molecular weight of 273.60 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-[5-nitro-2-(trifluoromethyl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 175252624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).