1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane

C6H6F6O — CID 21431670

IUPAC1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane
SMILESC=CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-2-3-13-4(5(7,8)9)6(10,11)12/h2,4H,1,3H2
InChIKeyVDCRSUUXCAHZSF-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.68
Rot. Bonds3

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

1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane (PubChem CID 21431670) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane
PubChem CID21431670
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane
SMILESC=CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-2-3-13-4(5(7,8)9)6(10,11)12/h2,4H,1,3H2
InChIKeyVDCRSUUXCAHZSF-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane (CID 21431670) is 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane is C=CCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane?
The InChIKey is VDCRSUUXCAHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-2-3-13-4(5(7,8)9)6(10,11)12/h2,4H,1,3H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane?
1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane has a molecular weight of 208.10 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropane is sourced from PubChem (CID 21431670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).