4-propoxyhex-1-enyl hypofluorite

C9H17FO2 — CID 173387860

IUPAC4-propoxyhex-1-enyl hypofluorite
SMILESCCCOC(CC)CC=COF
InChIInChI=1S/C9H17FO2/c1-3-7-11-9(4-2)6-5-8-12-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyFBMYLMBASFWKSH-UHFFFAOYSA-N
MW176.23 g/mol
LogP3.00
Rot. Bonds7

About 4-propoxyhex-1-enyl hypofluorite

4-propoxyhex-1-enyl hypofluorite (PubChem CID 173387860) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 4-propoxyhex-1-enyl hypofluorite.

Molecular Properties

Compound Name4-propoxyhex-1-enyl hypofluorite
PubChem CID173387860
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name4-propoxyhex-1-enyl hypofluorite
SMILESCCCOC(CC)CC=COF
InChIInChI=1S/C9H17FO2/c1-3-7-11-9(4-2)6-5-8-12-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyFBMYLMBASFWKSH-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxypent-1-enyl hypofluorite
CID 173343113
4-propoxyhex-1-yne
CID 173332850
3-propoxyheptane
CID 91289422
2-propoxybutyl formate
CID 56995849
N-methyl-2-propoxybutan-1-amine
CID 62452056
1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol
CID 174990741
3-(2-methoxyethoxy)pentanal
CID 123489699
1-methoxy-1-propoxyhex-3-ene
CID 141349600
1-(methoxymethoxy)-5,5-dipropoxypent-1-ene
CID 162392404
1-methoxy-1-propoxypropane
CID 19963975
1-pentan-3-yloxydecane
CID 173279604
2-propoxypentan-1-ol
CID 140655109

Frequently Asked Questions

What is the IUPAC name of 4-propoxyhex-1-enyl hypofluorite?
The IUPAC name of 4-propoxyhex-1-enyl hypofluorite (CID 173387860) is 4-propoxyhex-1-enyl hypofluorite.
What is the SMILES notation for 4-propoxyhex-1-enyl hypofluorite?
The canonical SMILES for 4-propoxyhex-1-enyl hypofluorite is CCCOC(CC)CC=COF.
What is the InChIKey of 4-propoxyhex-1-enyl hypofluorite?
The InChIKey is FBMYLMBASFWKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2/c1-3-7-11-9(4-2)6-5-8-12-10/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 4-propoxyhex-1-enyl hypofluorite?
4-propoxyhex-1-enyl hypofluorite has a molecular weight of 176.23 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxyhex-1-enyl hypofluorite is sourced from PubChem (CID 173387860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).