1-(1-fluoroethenoxy)propane

C5H9FO — CID 22996827

IUPAC1-(1-fluoroethenoxy)propane
SMILESC=C(F)OCCC
InChIInChI=1S/C5H9FO/c1-3-4-7-5(2)6/h2-4H2,1H3
InChIKeyBUMAZMDEFPZBDH-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.85
Rot. Bonds3

About 1-(1-fluoroethenoxy)propane

1-(1-fluoroethenoxy)propane (PubChem CID 22996827) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 1-(1-fluoroethenoxy)propane.

Molecular Properties

Compound Name1-(1-fluoroethenoxy)propane
PubChem CID22996827
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name1-(1-fluoroethenoxy)propane
SMILESC=C(F)OCCC
InChIInChI=1S/C5H9FO/c1-3-4-7-5(2)6/h2-4H2,1H3
InChIKeyBUMAZMDEFPZBDH-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.85
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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Related Compounds

1-(1-bromoethenoxy)propane
CID 59930688
2-propoxybut-1-ene
CID 22498061
2-propoxyprop-2-en-1-amine
CID 129234391
2-propoxyprop-2-en-1-ol
CID 89416516
propyl 2-bromoprop-2-enoate
CID 71576373
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
N,N-dimethyl-1-propoxyethenamine
CID 142050908
1-propoxyethenylhydrazine
CID 157287762
propyl carbamate;dihydrochloride
CID 87576214
azane;propyl 2-methylprop-2-enoate
CID 172812841
propyl 2-silylprop-2-enoate
CID 173152802
3-ethenoxy-2-propoxyprop-1-ene
CID 87965615

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethenoxy)propane?
The IUPAC name of 1-(1-fluoroethenoxy)propane (CID 22996827) is 1-(1-fluoroethenoxy)propane.
What is the SMILES notation for 1-(1-fluoroethenoxy)propane?
The canonical SMILES for 1-(1-fluoroethenoxy)propane is C=C(F)OCCC.
What is the InChIKey of 1-(1-fluoroethenoxy)propane?
The InChIKey is BUMAZMDEFPZBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-3-4-7-5(2)6/h2-4H2,1H3.
What are the key properties of 1-(1-fluoroethenoxy)propane?
1-(1-fluoroethenoxy)propane has a molecular weight of 104.12 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethenoxy)propane is sourced from PubChem (CID 22996827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).