1-fluorobut-1-enyl formate

C5H7FO2 — CID 173135525

IUPAC1-fluorobut-1-enyl formate
SMILESCCC=C(F)OC=O
InChIInChI=1S/C5H7FO2/c1-2-3-5(6)8-4-7/h3-4H,2H2,1H3
InChIKeyYVWWWGGIDXTAAY-UHFFFAOYSA-N
MW118.11 g/mol
LogP1.38
Rot. Bonds3

About 1-fluorobut-1-enyl formate

1-fluorobut-1-enyl formate (PubChem CID 173135525) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 1-fluorobut-1-enyl formate.

Molecular Properties

Compound Name1-fluorobut-1-enyl formate
PubChem CID173135525
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name1-fluorobut-1-enyl formate
SMILESCCC=C(F)OC=O
InChIInChI=1S/C5H7FO2/c1-2-3-5(6)8-4-7/h3-4H,2H2,1H3
InChIKeyYVWWWGGIDXTAAY-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobut-1-enyl formate?
The IUPAC name of 1-fluorobut-1-enyl formate (CID 173135525) is 1-fluorobut-1-enyl formate.
What is the SMILES notation for 1-fluorobut-1-enyl formate?
The canonical SMILES for 1-fluorobut-1-enyl formate is CCC=C(F)OC=O.
What is the InChIKey of 1-fluorobut-1-enyl formate?
The InChIKey is YVWWWGGIDXTAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c1-2-3-5(6)8-4-7/h3-4H,2H2,1H3.
What are the key properties of 1-fluorobut-1-enyl formate?
1-fluorobut-1-enyl formate has a molecular weight of 118.11 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobut-1-enyl formate is sourced from PubChem (CID 173135525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).