3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite

C8H9F11O2 — CID 160967875

IUPAC3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite
SMILESC=COCCC(F)(F)F.FF.FOC(F)(F)CC(F)(F)F
InChIInChI=1S/C5H7F3O.C3H2F6O.F2/c1-2-9-4-3-5(6,7)8;4-2(5,6)1-3(7,8)10-9;1-2/h2H,1,3-4H2;1H2;
InChIKeySXWBEWMSWKNRDS-UHFFFAOYSA-N
MW346.14 g/mol
LogP5.37
Rot. Bonds5

About 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite

3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite (PubChem CID 160967875) has the molecular formula C8H9F11O2 and a molecular weight of 346.14 g/mol. Its IUPAC name is 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite.

Molecular Properties

Compound Name3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite
PubChem CID160967875
Molecular FormulaC8H9F11O2
Molecular Weight346.14 g/mol
Exact Mass346.04
IUPAC Name3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite
SMILESC=COCCC(F)(F)F.FF.FOC(F)(F)CC(F)(F)F
InChIInChI=1S/C5H7F3O.C3H2F6O.F2/c1-2-9-4-3-5(6,7)8;4-2(5,6)1-3(7,8)10-9;1-2/h2H,1,3-4H2;1H2;
InChIKeySXWBEWMSWKNRDS-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.14
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite?
The IUPAC name of 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite (CID 160967875) is 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite.
What is the SMILES notation for 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite?
The canonical SMILES for 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite is C=COCCC(F)(F)F.FF.FOC(F)(F)CC(F)(F)F.
What is the InChIKey of 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite?
The InChIKey is SXWBEWMSWKNRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O.C3H2F6O.F2/c1-2-9-4-3-5(6,7)8;4-2(5,6)1-3(7,8)10-9;1-2/h2H,1,3-4H2;1H2;.
What are the key properties of 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite?
3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite has a molecular weight of 346.14 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1,1,1-trifluoropropane;molecular fluorine;1,1,3,3,3-pentafluoropropyl hypofluorite is sourced from PubChem (CID 160967875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).