ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate

C10H17F3N2O2 — CID 23266405

IUPACethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate
SMILESCCOC(=O)/C=C(\NN(CC)CC)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-15(5-2)14-8(10(11,12)13)7-9(16)17-6-3/h7,14H,4-6H2,1-3H3/b8-7-
InChIKeyKQILLIFVSHVDDG-FPLPWBNLSA-N
MW254.25 g/mol
LogP1.84
Rot. Bonds6

About ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate

ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate (PubChem CID 23266405) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate
PubChem CID23266405
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Nameethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate
SMILESCCOC(=O)/C=C(\NN(CC)CC)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-15(5-2)14-8(10(11,12)13)7-9(16)17-6-3/h7,14H,4-6H2,1-3H3/b8-7-
InChIKeyKQILLIFVSHVDDG-FPLPWBNLSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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 ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate?
The IUPAC name of ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate (CID 23266405) is ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate?
The canonical SMILES for ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate is CCOC(=O)/C=C(\NN(CC)CC)C(F)(F)F.
What is the InChIKey of ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate?
The InChIKey is KQILLIFVSHVDDG-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-4-15(5-2)14-8(10(11,12)13)7-9(16)17-6-3/h7,14H,4-6H2,1-3H3/b8-7-.
What are the key properties of ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate?
ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate has a molecular weight of 254.25 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(2,2-diethylhydrazinyl)-4,4,4-trifluorobut-2-enoate is sourced from PubChem (CID 23266405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).