1,1,1,3-tetrafluoro-2-prop-2-enoxypropane

C6H8F4O — CID 57077091

IUPAC1,1,1,3-tetrafluoro-2-prop-2-enoxypropane
SMILESC=CCOC(CF)C(F)(F)F
InChIInChI=1S/C6H8F4O/c1-2-3-11-5(4-7)6(8,9)10/h2,5H,1,3-4H2
InChIKeyUSHXAAGHERLRMO-UHFFFAOYSA-N
MW172.12 g/mol
LogP2.09
Rot. Bonds4

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

1,1,1,3-tetrafluoro-2-prop-2-enoxypropane (PubChem CID 57077091) has the molecular formula C6H8F4O and a molecular weight of 172.12 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-2-prop-2-enoxypropane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-2-prop-2-enoxypropane
PubChem CID57077091
Molecular FormulaC6H8F4O
Molecular Weight172.12 g/mol
Exact Mass172.05
IUPAC Name1,1,1,3-tetrafluoro-2-prop-2-enoxypropane
SMILESC=CCOC(CF)C(F)(F)F
InChIInChI=1S/C6H8F4O/c1-2-3-11-5(4-7)6(8,9)10/h2,5H,1,3-4H2
InChIKeyUSHXAAGHERLRMO-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 52.09
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-tetrafluoro-2-prop-2-enoxypropane?
The IUPAC name of 1,1,1,3-tetrafluoro-2-prop-2-enoxypropane (CID 57077091) is 1,1,1,3-tetrafluoro-2-prop-2-enoxypropane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-2-prop-2-enoxypropane?
The canonical SMILES for 1,1,1,3-tetrafluoro-2-prop-2-enoxypropane is C=CCOC(CF)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-2-prop-2-enoxypropane?
The InChIKey is USHXAAGHERLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O/c1-2-3-11-5(4-7)6(8,9)10/h2,5H,1,3-4H2.
What are the key properties of 1,1,1,3-tetrafluoro-2-prop-2-enoxypropane?
1,1,1,3-tetrafluoro-2-prop-2-enoxypropane has a molecular weight of 172.12 g/mol, XLogP of 2.09, 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-tetrafluoro-2-prop-2-enoxypropane is sourced from PubChem (CID 57077091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).