(3-fluoro-2-methylbut-3-en-2-yl) acetate

C7H11FO2 — CID 125489411

IUPAC(3-fluoro-2-methylbut-3-en-2-yl) acetate
SMILESC=C(F)C(C)(C)OC(C)=O
InChIInChI=1S/C7H11FO2/c1-5(8)7(3,4)10-6(2)9/h1H2,2-4H3
InChIKeyHXXUSHLBZZMWJF-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.81
Rot. Bonds2

About (3-fluoro-2-methylbut-3-en-2-yl) acetate

(3-fluoro-2-methylbut-3-en-2-yl) acetate (PubChem CID 125489411) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (3-fluoro-2-methylbut-3-en-2-yl) acetate.

Molecular Properties

Compound Name(3-fluoro-2-methylbut-3-en-2-yl) acetate
PubChem CID125489411
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(3-fluoro-2-methylbut-3-en-2-yl) acetate
SMILESC=C(F)C(C)(C)OC(C)=O
InChIInChI=1S/C7H11FO2/c1-5(8)7(3,4)10-6(2)9/h1H2,2-4H3
InChIKeyHXXUSHLBZZMWJF-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methylbut-3-en-2-yl) acetate?
The IUPAC name of (3-fluoro-2-methylbut-3-en-2-yl) acetate (CID 125489411) is (3-fluoro-2-methylbut-3-en-2-yl) acetate.
What is the SMILES notation for (3-fluoro-2-methylbut-3-en-2-yl) acetate?
The canonical SMILES for (3-fluoro-2-methylbut-3-en-2-yl) acetate is C=C(F)C(C)(C)OC(C)=O.
What is the InChIKey of (3-fluoro-2-methylbut-3-en-2-yl) acetate?
The InChIKey is HXXUSHLBZZMWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-5(8)7(3,4)10-6(2)9/h1H2,2-4H3.
What are the key properties of (3-fluoro-2-methylbut-3-en-2-yl) acetate?
(3-fluoro-2-methylbut-3-en-2-yl) acetate has a molecular weight of 146.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methylbut-3-en-2-yl) acetate is sourced from PubChem (CID 125489411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).