1-ethenoxy-1-fluoropentane

C7H13FO — CID 174974575

IUPAC1-ethenoxy-1-fluoropentane
SMILESC=COC(F)CCCC
InChIInChI=1S/C7H13FO/c1-3-5-6-7(8)9-4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyOQAJXTORIHEGQQ-UHFFFAOYSA-N
MW132.18 g/mol
LogP2.63
Rot. Bonds5

About 1-ethenoxy-1-fluoropentane

1-ethenoxy-1-fluoropentane (PubChem CID 174974575) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-ethenoxy-1-fluoropentane.

Molecular Properties

Compound Name1-ethenoxy-1-fluoropentane
PubChem CID174974575
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name1-ethenoxy-1-fluoropentane
SMILESC=COC(F)CCCC
InChIInChI=1S/C7H13FO/c1-3-5-6-7(8)9-4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyOQAJXTORIHEGQQ-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1-fluoropentane?
The IUPAC name of 1-ethenoxy-1-fluoropentane (CID 174974575) is 1-ethenoxy-1-fluoropentane.
What is the SMILES notation for 1-ethenoxy-1-fluoropentane?
The canonical SMILES for 1-ethenoxy-1-fluoropentane is C=COC(F)CCCC.
What is the InChIKey of 1-ethenoxy-1-fluoropentane?
The InChIKey is OQAJXTORIHEGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-3-5-6-7(8)9-4-2/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-ethenoxy-1-fluoropentane?
1-ethenoxy-1-fluoropentane has a molecular weight of 132.18 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1-fluoropentane is sourced from PubChem (CID 174974575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).