4-(fluoromethoxy)but-1-ene

C5H9FO — CID 176847525

IUPAC4-(fluoromethoxy)but-1-ene
SMILESC=CCCOCF
InChIInChI=1S/C5H9FO/c1-2-3-4-7-5-6/h2H,1,3-5H2
InChIKeyBJNXCJCLWWDAEC-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.51
Rot. Bonds4

About 4-(fluoromethoxy)but-1-ene

4-(fluoromethoxy)but-1-ene (PubChem CID 176847525) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 4-(fluoromethoxy)but-1-ene.

Molecular Properties

Compound Name4-(fluoromethoxy)but-1-ene
PubChem CID176847525
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name4-(fluoromethoxy)but-1-ene
SMILESC=CCCOCF
InChIInChI=1S/C5H9FO/c1-2-3-4-7-5-6/h2H,1,3-5H2
InChIKeyBJNXCJCLWWDAEC-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 23466677
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CID 54107271
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CID 59259640
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CID 71406867
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CID 87098157
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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethoxy)but-1-ene?
The IUPAC name of 4-(fluoromethoxy)but-1-ene (CID 176847525) is 4-(fluoromethoxy)but-1-ene.
What is the SMILES notation for 4-(fluoromethoxy)but-1-ene?
The canonical SMILES for 4-(fluoromethoxy)but-1-ene is C=CCCOCF.
What is the InChIKey of 4-(fluoromethoxy)but-1-ene?
The InChIKey is BJNXCJCLWWDAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-2-3-4-7-5-6/h2H,1,3-5H2.
What are the key properties of 4-(fluoromethoxy)but-1-ene?
4-(fluoromethoxy)but-1-ene has a molecular weight of 104.12 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethoxy)but-1-ene is sourced from PubChem (CID 176847525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).