5-but-3-enoxy-5-fluoropent-1-ene

C9H15FO — CID 165382534

IUPAC5-but-3-enoxy-5-fluoropent-1-ene
SMILESC=CCCOC(F)CCC=C
InChIInChI=1S/C9H15FO/c1-3-5-7-9(10)11-8-6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyBNOHKSJNHBBJTC-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.84
Rot. Bonds7

About 5-but-3-enoxy-5-fluoropent-1-ene

5-but-3-enoxy-5-fluoropent-1-ene (PubChem CID 165382534) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 5-but-3-enoxy-5-fluoropent-1-ene.

Molecular Properties

Compound Name5-but-3-enoxy-5-fluoropent-1-ene
PubChem CID165382534
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name5-but-3-enoxy-5-fluoropent-1-ene
SMILESC=CCCOC(F)CCC=C
InChIInChI=1S/C9H15FO/c1-3-5-7-9(10)11-8-6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyBNOHKSJNHBBJTC-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enoxy-5-fluoropent-1-ene?
The IUPAC name of 5-but-3-enoxy-5-fluoropent-1-ene (CID 165382534) is 5-but-3-enoxy-5-fluoropent-1-ene.
What is the SMILES notation for 5-but-3-enoxy-5-fluoropent-1-ene?
The canonical SMILES for 5-but-3-enoxy-5-fluoropent-1-ene is C=CCCOC(F)CCC=C.
What is the InChIKey of 5-but-3-enoxy-5-fluoropent-1-ene?
The InChIKey is BNOHKSJNHBBJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-3-5-7-9(10)11-8-6-4-2/h3-4,9H,1-2,5-8H2.
What are the key properties of 5-but-3-enoxy-5-fluoropent-1-ene?
5-but-3-enoxy-5-fluoropent-1-ene has a molecular weight of 158.22 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enoxy-5-fluoropent-1-ene is sourced from PubChem (CID 165382534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).