[(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate

C11H10F2O2 — CID 134969528

IUPAC[(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate
SMILESC=C[C@@H](F)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10F2O2/c1-2-9(12)7-15-11(14)8-3-5-10(13)6-4-8/h2-6,9H,1,7H2/t9-/m1/s1
InChIKeyNXABOYYNDVSFQL-SECBINFHSA-N
MW212.19 g/mol
LogP2.51
Rot. Bonds4

About [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate

[(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate (PubChem CID 134969528) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate
PubChem CID134969528
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name[(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate
SMILESC=C[C@@H](F)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10F2O2/c1-2-9(12)7-15-11(14)8-3-5-10(13)6-4-8/h2-6,9H,1,7H2/t9-/m1/s1
InChIKeyNXABOYYNDVSFQL-SECBINFHSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate
CID 19753341
[(2R)-3-bromo-2-(4-fluorobenzoyl)oxybut-3-enyl] 4-fluorobenzoate
CID 11361901
ethenyl 4-fluorobenzoate
CID 54757351
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
(2-fluoro-2-methylpropyl) 4-fluorobenzoate
CID 146162315
2-hydroxybut-3-enyl 4-(trifluoromethyl)benzoate
CID 162536715
2-ethylhexyl 4-fluorobenzoate
CID 579252
2-[2-(4-fluorobenzoyl)oxyethyldisulfanyl]ethyl 4-fluorobenzoate
CID 101240856
carbonochloridoyloxymethyl 4-fluorobenzoate
CID 86098984
2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 82186361
1-(4-fluorophenyl)-2-methylbut-3-en-1-one
CID 10954084
4-methylpentyl 4-fluorobenzoate
CID 579315

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate?
The IUPAC name of [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate (CID 134969528) is [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate.
What is the SMILES notation for [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate?
The canonical SMILES for [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate is C=C[C@@H](F)COC(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate?
The InChIKey is NXABOYYNDVSFQL-SECBINFHSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-2-9(12)7-15-11(14)8-3-5-10(13)6-4-8/h2-6,9H,1,7H2/t9-/m1/s1.
What are the key properties of [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate?
[(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate has a molecular weight of 212.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate is sourced from PubChem (CID 134969528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).