1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane

C9H12F6O2 — CID 118138316

IUPAC1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane
SMILESC=CCOC(F)(F)C(F)(OCCC)C(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-3-5-16-7(10,8(11,12)13)9(14,15)17-6-4-2/h4H,2-3,5-6H2,1H3
InChIKeyPBLNJHHBKMGBRB-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.44
Rot. Bonds7

About 1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane

1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane (PubChem CID 118138316) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane
PubChem CID118138316
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane
SMILESC=CCOC(F)(F)C(F)(OCCC)C(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-3-5-16-7(10,8(11,12)13)9(14,15)17-6-4-2/h4H,2-3,5-6H2,1H3
InChIKeyPBLNJHHBKMGBRB-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-hexafluoro-3-prop-2-enoxy-2-propoxypropane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane (CID 118138316) is 1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane is C=CCOC(F)(F)C(F)(OCCC)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane?
The InChIKey is PBLNJHHBKMGBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-3-5-16-7(10,8(11,12)13)9(14,15)17-6-4-2/h4H,2-3,5-6H2,1H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane?
1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane has a molecular weight of 266.18 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-prop-2-enoxy-2-propoxypropane is sourced from PubChem (CID 118138316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).