1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole

C7H6F3IN2O — CID 170395496

IUPAC1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole
SMILESFC(F)(F)[C@@H]1C[C@H]1Oc1ccn(I)n1
InChIInChI=1S/C7H6F3IN2O/c8-7(9,10)4-3-5(4)14-6-1-2-13(11)12-6/h1-2,4-5H,3H2/t4-,5-/m1/s1
InChIKeyGDRKQJQDIJGCID-RFZPGFLSSA-N
MW318.04 g/mol
LogP2.41
Rot. Bonds2

About 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole

1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole (PubChem CID 170395496) has the molecular formula C7H6F3IN2O and a molecular weight of 318.04 g/mol. Its IUPAC name is 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole.

Molecular Properties

Compound Name1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole
PubChem CID170395496
Molecular FormulaC7H6F3IN2O
Molecular Weight318.04 g/mol
Exact Mass317.95
IUPAC Name1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole
SMILESFC(F)(F)[C@@H]1C[C@H]1Oc1ccn(I)n1
InChIInChI=1S/C7H6F3IN2O/c8-7(9,10)4-3-5(4)14-6-1-2-13(11)12-6/h1-2,4-5H,3H2/t4-,5-/m1/s1
InChIKeyGDRKQJQDIJGCID-RFZPGFLSSA-N
XLogP2.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.04
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole?
The IUPAC name of 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole (CID 170395496) is 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole.
What is the SMILES notation for 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole?
The canonical SMILES for 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole is FC(F)(F)[C@@H]1C[C@H]1Oc1ccn(I)n1.
What is the InChIKey of 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole?
The InChIKey is GDRKQJQDIJGCID-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H6F3IN2O/c8-7(9,10)4-3-5(4)14-6-1-2-13(11)12-6/h1-2,4-5H,3H2/t4-,5-/m1/s1.
What are the key properties of 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole?
1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole has a molecular weight of 318.04 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole is sourced from PubChem (CID 170395496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).