(2S)-2-methylbut-3-enoyl fluoride

C5H7FO — CID 101490892

IUPAC(2S)-2-methylbut-3-enoyl fluoride
SMILESC=CC(C)C(=O)F
InChIInChI=1S/C5H7FO/c1-3-4(2)5(6)7/h3-4H,1H2,2H3
InChIKeyBZMHWYPVBZJMSY-UHFFFAOYSA-N
MW102.11 g/mol
LogP1.30
Rot. Bonds2

About (2S)-2-methylbut-3-enoyl fluoride

(2S)-2-methylbut-3-enoyl fluoride (PubChem CID 101490892) has the molecular formula C5H7FO and a molecular weight of 102.11 g/mol. Its IUPAC name is (2S)-2-methylbut-3-enoyl fluoride.

Molecular Properties

Compound Name(2S)-2-methylbut-3-enoyl fluoride
PubChem CID101490892
Molecular FormulaC5H7FO
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name(2S)-2-methylbut-3-enoyl fluoride
SMILESC=CC(C)C(=O)F
InChIInChI=1S/C5H7FO/c1-3-4(2)5(6)7/h3-4H,1H2,2H3
InChIKeyBZMHWYPVBZJMSY-UHFFFAOYSA-N
XLogP1.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylbut-3-enoyl fluoride?
The IUPAC name of (2S)-2-methylbut-3-enoyl fluoride (CID 101490892) is (2S)-2-methylbut-3-enoyl fluoride.
What is the SMILES notation for (2S)-2-methylbut-3-enoyl fluoride?
The canonical SMILES for (2S)-2-methylbut-3-enoyl fluoride is C=CC(C)C(=O)F.
What is the InChIKey of (2S)-2-methylbut-3-enoyl fluoride?
The InChIKey is BZMHWYPVBZJMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO/c1-3-4(2)5(6)7/h3-4H,1H2,2H3.
What are the key properties of (2S)-2-methylbut-3-enoyl fluoride?
(2S)-2-methylbut-3-enoyl fluoride has a molecular weight of 102.11 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylbut-3-enoyl fluoride is sourced from PubChem (CID 101490892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).