1-ethenoxy-5-fluoropentane

C7H13FO — CID 141220671

IUPAC1-ethenoxy-5-fluoropentane
SMILESC=COCCCCCF
InChIInChI=1S/C7H13FO/c1-2-9-7-5-3-4-6-8/h2H,1,3-7H2
InChIKeyIVALDUHUVHTSMJ-UHFFFAOYSA-N
MW132.18 g/mol
LogP2.29
Rot. Bonds6

About 1-ethenoxy-5-fluoropentane

1-ethenoxy-5-fluoropentane (PubChem CID 141220671) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-ethenoxy-5-fluoropentane.

Molecular Properties

Compound Name1-ethenoxy-5-fluoropentane
PubChem CID141220671
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name1-ethenoxy-5-fluoropentane
SMILESC=COCCCCCF
InChIInChI=1S/C7H13FO/c1-2-9-7-5-3-4-6-8/h2H,1,3-7H2
InChIKeyIVALDUHUVHTSMJ-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-5-fluoropentane?
The IUPAC name of 1-ethenoxy-5-fluoropentane (CID 141220671) is 1-ethenoxy-5-fluoropentane.
What is the SMILES notation for 1-ethenoxy-5-fluoropentane?
The canonical SMILES for 1-ethenoxy-5-fluoropentane is C=COCCCCCF.
What is the InChIKey of 1-ethenoxy-5-fluoropentane?
The InChIKey is IVALDUHUVHTSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-2-9-7-5-3-4-6-8/h2H,1,3-7H2.
What are the key properties of 1-ethenoxy-5-fluoropentane?
1-ethenoxy-5-fluoropentane has a molecular weight of 132.18 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-5-fluoropentane is sourced from PubChem (CID 141220671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).