4,4,4-trifluoro-N'-iodobutanehydrazide

C4H6F3IN2O — CID 88556626

IUPAC4,4,4-trifluoro-N'-iodobutanehydrazide
SMILESO=C(CCC(F)(F)F)NNI
InChIInChI=1S/C4H6F3IN2O/c5-4(6,7)2-1-3(11)9-10-8/h10H,1-2H2,(H,9,11)
InChIKeyIYOHVAVHVBXRTD-UHFFFAOYSA-N
MW282.00 g/mol
LogP1.30
Rot. Bonds3

About 4,4,4-trifluoro-N'-iodobutanehydrazide

4,4,4-trifluoro-N'-iodobutanehydrazide (PubChem CID 88556626) has the molecular formula C4H6F3IN2O and a molecular weight of 282.00 g/mol. Its IUPAC name is 4,4,4-trifluoro-N'-iodobutanehydrazide.

Molecular Properties

Compound Name4,4,4-trifluoro-N'-iodobutanehydrazide
PubChem CID88556626
Molecular FormulaC4H6F3IN2O
Molecular Weight282.00 g/mol
Exact Mass281.95
IUPAC Name4,4,4-trifluoro-N'-iodobutanehydrazide
SMILESO=C(CCC(F)(F)F)NNI
InChIInChI=1S/C4H6F3IN2O/c5-4(6,7)2-1-3(11)9-10-8/h10H,1-2H2,(H,9,11)
InChIKeyIYOHVAVHVBXRTD-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.00
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,4,4-trifluoro-N'-iodobutanehydrazide 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 4,4,4-trifluoro-N'-iodobutanehydrazide?
The IUPAC name of 4,4,4-trifluoro-N'-iodobutanehydrazide (CID 88556626) is 4,4,4-trifluoro-N'-iodobutanehydrazide.
What is the SMILES notation for 4,4,4-trifluoro-N'-iodobutanehydrazide?
The canonical SMILES for 4,4,4-trifluoro-N'-iodobutanehydrazide is O=C(CCC(F)(F)F)NNI.
What is the InChIKey of 4,4,4-trifluoro-N'-iodobutanehydrazide?
The InChIKey is IYOHVAVHVBXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3IN2O/c5-4(6,7)2-1-3(11)9-10-8/h10H,1-2H2,(H,9,11).
What are the key properties of 4,4,4-trifluoro-N'-iodobutanehydrazide?
4,4,4-trifluoro-N'-iodobutanehydrazide has a molecular weight of 282.00 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N'-iodobutanehydrazide is sourced from PubChem (CID 88556626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).