3-fluorobut-3-enoic acid

C4H5FO2 — CID 19807420

IUPAC3-fluorobut-3-enoic acid
SMILESC=C(F)CC(=O)O
InChIInChI=1S/C4H5FO2/c1-3(5)2-4(6)7/h1-2H2,(H,6,7)
InChIKeyUGAZKDQQCXCWRZ-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.94
Rot. Bonds2

About 3-fluorobut-3-enoic acid

3-fluorobut-3-enoic acid (PubChem CID 19807420) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is 3-fluorobut-3-enoic acid.

Molecular Properties

Compound Name3-fluorobut-3-enoic acid
PubChem CID19807420
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name3-fluorobut-3-enoic acid
SMILESC=C(F)CC(=O)O
InChIInChI=1S/C4H5FO2/c1-3(5)2-4(6)7/h1-2H2,(H,6,7)
InChIKeyUGAZKDQQCXCWRZ-UHFFFAOYSA-N
XLogP0.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobut-3-enoic acid?
The IUPAC name of 3-fluorobut-3-enoic acid (CID 19807420) is 3-fluorobut-3-enoic acid.
What is the SMILES notation for 3-fluorobut-3-enoic acid?
The canonical SMILES for 3-fluorobut-3-enoic acid is C=C(F)CC(=O)O.
What is the InChIKey of 3-fluorobut-3-enoic acid?
The InChIKey is UGAZKDQQCXCWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c1-3(5)2-4(6)7/h1-2H2,(H,6,7).
What are the key properties of 3-fluorobut-3-enoic acid?
3-fluorobut-3-enoic acid has a molecular weight of 104.08 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobut-3-enoic acid is sourced from PubChem (CID 19807420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).