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

C6H7F5O — CID 54048830

IUPAC1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane
SMILESC=CCOC(C(F)F)C(F)(F)F
InChIInChI=1S/C6H7F5O/c1-2-3-12-4(5(7)8)6(9,10)11/h2,4-5H,1,3H2
InChIKeyLRLHOWLSHJHCKH-UHFFFAOYSA-N
MW190.11 g/mol
LogP2.38
Rot. Bonds4

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

1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane (PubChem CID 54048830) has the molecular formula C6H7F5O and a molecular weight of 190.11 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane
PubChem CID54048830
Molecular FormulaC6H7F5O
Molecular Weight190.11 g/mol
Exact Mass190.04
IUPAC Name1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane
SMILESC=CCOC(C(F)F)C(F)(F)F
InChIInChI=1S/C6H7F5O/c1-2-3-12-4(5(7)8)6(9,10)11/h2,4-5H,1,3H2
InChIKeyLRLHOWLSHJHCKH-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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 1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane?
The IUPAC name of 1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane (CID 54048830) is 1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane is C=CCOC(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane?
The InChIKey is LRLHOWLSHJHCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O/c1-2-3-12-4(5(7)8)6(9,10)11/h2,4-5H,1,3H2.
What are the key properties of 1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane?
1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane has a molecular weight of 190.11 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-2-prop-2-enoxypropane is sourced from PubChem (CID 54048830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).