1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane

C6H5F7O — CID 2735866

IUPAC1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane
SMILESC=CCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-3-14-4(7,5(8,9)10)6(11,12)13/h2H,1,3H2
InChIKeyFXUHCQHWDACOKK-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.98
Rot. Bonds3

About 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane

1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane (PubChem CID 2735866) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane
PubChem CID2735866
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane
SMILESC=CCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-3-14-4(7,5(8,9)10)6(11,12)13/h2H,1,3H2
InChIKeyFXUHCQHWDACOKK-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane (CID 2735866) is 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane is C=CCOC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane?
The InChIKey is FXUHCQHWDACOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-2-3-14-4(7,5(8,9)10)6(11,12)13/h2H,1,3H2.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane?
1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane has a molecular weight of 226.09 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane is sourced from PubChem (CID 2735866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).