tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate

C10H17FO3 — CID 88758233

IUPACtert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate
SMILESC[C@@H](C=CF)OCC(=O)OC(C)(C)C
InChIInChI=1S/C10H17FO3/c1-8(5-6-11)13-7-9(12)14-10(2,3)4/h5-6,8H,7H2,1-4H3/t8-/m0/s1
InChIKeyDECNEAHPROGGMA-QMMMGPOBSA-N
MW204.24 g/mol
LogP2.22
Rot. Bonds4

About tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate

tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate (PubChem CID 88758233) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate
PubChem CID88758233
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Nametert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate
SMILESC[C@@H](C=CF)OCC(=O)OC(C)(C)C
InChIInChI=1S/C10H17FO3/c1-8(5-6-11)13-7-9(12)14-10(2,3)4/h5-6,8H,7H2,1-4H3/t8-/m0/s1
InChIKeyDECNEAHPROGGMA-QMMMGPOBSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate 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 tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate (CID 88758233) is tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate is C[C@@H](C=CF)OCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate?
The InChIKey is DECNEAHPROGGMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17FO3/c1-8(5-6-11)13-7-9(12)14-10(2,3)4/h5-6,8H,7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate?
tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate has a molecular weight of 204.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S)-4-fluorobut-3-en-2-yl]oxyacetate is sourced from PubChem (CID 88758233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).