2-amino-3,3,3-trifluoropropanehydrazide

C3H6F3N3O — CID 130670864

IUPAC2-amino-3,3,3-trifluoropropanehydrazide
SMILESNNC(=O)C(N)C(F)(F)F
InChIInChI=1S/C3H6F3N3O/c4-3(5,6)1(7)2(10)9-8/h1H,7-8H2,(H,9,10)
InChIKeyWGFIHCAIVVBGOV-UHFFFAOYSA-N
MW157.10 g/mol
LogP-1.13
Rot. Bonds1

About 2-amino-3,3,3-trifluoropropanehydrazide

2-amino-3,3,3-trifluoropropanehydrazide (PubChem CID 130670864) has the molecular formula C3H6F3N3O and a molecular weight of 157.10 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoropropanehydrazide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoropropanehydrazide
PubChem CID130670864
Molecular FormulaC3H6F3N3O
Molecular Weight157.10 g/mol
Exact Mass157.05
IUPAC Name2-amino-3,3,3-trifluoropropanehydrazide
SMILESNNC(=O)C(N)C(F)(F)F
InChIInChI=1S/C3H6F3N3O/c4-3(5,6)1(7)2(10)9-8/h1H,7-8H2,(H,9,10)
InChIKeyWGFIHCAIVVBGOV-UHFFFAOYSA-N
XLogP-1.13
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoropropanehydrazide?
The IUPAC name of 2-amino-3,3,3-trifluoropropanehydrazide (CID 130670864) is 2-amino-3,3,3-trifluoropropanehydrazide.
What is the SMILES notation for 2-amino-3,3,3-trifluoropropanehydrazide?
The canonical SMILES for 2-amino-3,3,3-trifluoropropanehydrazide is NNC(=O)C(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoropropanehydrazide?
The InChIKey is WGFIHCAIVVBGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3N3O/c4-3(5,6)1(7)2(10)9-8/h1H,7-8H2,(H,9,10).
What are the key properties of 2-amino-3,3,3-trifluoropropanehydrazide?
2-amino-3,3,3-trifluoropropanehydrazide has a molecular weight of 157.10 g/mol, XLogP of -1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoropropanehydrazide is sourced from PubChem (CID 130670864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).