ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate

C6H11F3N2O2 — CID 154016508

IUPACethyl 4,4,4-trifluoro-3-hydrazinylbutanoate
SMILESCCOC(=O)CC(NN)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-2-13-5(12)3-4(11-10)6(7,8)9/h4,11H,2-3,10H2,1H3
InChIKeyJWNPOCPIULJYFI-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.33
Rot. Bonds4

About ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate

ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate (PubChem CID 154016508) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate.

Molecular Properties

Compound Nameethyl 4,4,4-trifluoro-3-hydrazinylbutanoate
PubChem CID154016508
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Nameethyl 4,4,4-trifluoro-3-hydrazinylbutanoate
SMILESCCOC(=O)CC(NN)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-2-13-5(12)3-4(11-10)6(7,8)9/h4,11H,2-3,10H2,1H3
InChIKeyJWNPOCPIULJYFI-UHFFFAOYSA-N
XLogP0.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
ethyl (3S)-3-bromo-4,4,4-trifluorobutanoate
CID 96565618
diethyl 4-(trifluoromethyl)heptanedioate
CID 102090199
ethyl 4,4,4-trifluoro-3-(phenylmethoxycarbonylamino)butanoate
CID 162782346
ethyl (3S)-4,4-difluoro-3-hydroxypentanoate
CID 122595250
ethyl (3S)-3-chlorosulfonyl-4,4,4-trifluorobutanoate
CID 124710098
ethyl 3-(trifluoromethyl)heptanoate
CID 19890429
ethyl (3S)-3-butanoyloxy-4,4,4-trifluorobutanoate
CID 131860446
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
ethyl 4,4,4-trifluoro-3-oxobutanoate;hydrate
CID 88628841
ethyl 7-chloro-4,4,5,5,6,6,7,7-octafluoro-3-methylheptanoate
CID 15751750
ethyl 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoate
CID 170871932

Frequently Asked Questions

What is the IUPAC name of ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate?
The IUPAC name of ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate (CID 154016508) is ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate.
What is the SMILES notation for ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate?
The canonical SMILES for ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate is CCOC(=O)CC(NN)C(F)(F)F.
What is the InChIKey of ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate?
The InChIKey is JWNPOCPIULJYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-2-13-5(12)3-4(11-10)6(7,8)9/h4,11H,2-3,10H2,1H3.
What are the key properties of ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate?
ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate has a molecular weight of 200.16 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate is sourced from PubChem (CID 154016508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).