3,3,4-trifluoro-2-methylbutanehydrazide

C5H9F3N2O — CID 130277602

IUPAC3,3,4-trifluoro-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(F)(F)CF
InChIInChI=1S/C5H9F3N2O/c1-3(4(11)10-9)5(7,8)2-6/h3H,2,9H2,1H3,(H,10,11)
InChIKeyUZQQEZUDLZXNKH-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.22
Rot. Bonds3

About 3,3,4-trifluoro-2-methylbutanehydrazide

3,3,4-trifluoro-2-methylbutanehydrazide (PubChem CID 130277602) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 3,3,4-trifluoro-2-methylbutanehydrazide.

Molecular Properties

Compound Name3,3,4-trifluoro-2-methylbutanehydrazide
PubChem CID130277602
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name3,3,4-trifluoro-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(F)(F)CF
InChIInChI=1S/C5H9F3N2O/c1-3(4(11)10-9)5(7,8)2-6/h3H,2,9H2,1H3,(H,10,11)
InChIKeyUZQQEZUDLZXNKH-UHFFFAOYSA-N
XLogP0.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

3-Methylbutanehydrazide
CID 32283
2-Methylbutyric acid hydrazide
CID 16780899
3,3-Difluorocyclobutane-1-carbohydrazide
CID 86694093
Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, hydrazide
CID 13748808
2-(Trifluoromethyl)hexanehydrazide
CID 19902917
4,4-Difluorobutanehydrazide
CID 53484317
N'-acetyl-4-fluorobutanehydrazide
CID 53646425
N'-(2,2-difluoroacetyl)propanehydrazide
CID 53844138
N'-(2-fluoroacetyl)butanehydrazide
CID 54396036
N'-(2,2-difluoroacetyl)butanehydrazide
CID 54411477
4-fluoro-N'-propanoylbutanehydrazide
CID 54467925
N'-(2,2,2-trifluoroacetyl)butanehydrazide
CID 54493265

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-2-methylbutanehydrazide?
The IUPAC name of 3,3,4-trifluoro-2-methylbutanehydrazide (CID 130277602) is 3,3,4-trifluoro-2-methylbutanehydrazide.
What is the SMILES notation for 3,3,4-trifluoro-2-methylbutanehydrazide?
The canonical SMILES for 3,3,4-trifluoro-2-methylbutanehydrazide is CC(C(=O)NN)C(F)(F)CF.
What is the InChIKey of 3,3,4-trifluoro-2-methylbutanehydrazide?
The InChIKey is UZQQEZUDLZXNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-3(4(11)10-9)5(7,8)2-6/h3H,2,9H2,1H3,(H,10,11).
What are the key properties of 3,3,4-trifluoro-2-methylbutanehydrazide?
3,3,4-trifluoro-2-methylbutanehydrazide has a molecular weight of 170.13 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-2-methylbutanehydrazide is sourced from PubChem (CID 130277602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).