1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane

C6H7F5O — CID 3733234

IUPAC1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane
SMILESC=CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O/c1-2-3-12-4-5(7,8)6(9,10)11/h2H,1,3-4H2
InChIKeyOPCORXXVBOOEID-UHFFFAOYSA-N
MW190.11 g/mol
LogP2.39
Rot. Bonds4

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

1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane (PubChem CID 3733234) has the molecular formula C6H7F5O and a molecular weight of 190.11 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane
PubChem CID3733234
Molecular FormulaC6H7F5O
Molecular Weight190.11 g/mol
Exact Mass190.04
IUPAC Name1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane
SMILESC=CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O/c1-2-3-12-4-5(7,8)6(9,10)11/h2H,1,3-4H2
InChIKeyOPCORXXVBOOEID-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane (CID 3733234) is 1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane is C=CCOCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane?
The InChIKey is OPCORXXVBOOEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O/c1-2-3-12-4-5(7,8)6(9,10)11/h2H,1,3-4H2.
What are the key properties of 1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane?
1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane has a molecular weight of 190.11 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3-prop-2-enoxypropane is sourced from PubChem (CID 3733234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).