1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane

C5H2F8O — CID 10868092

IUPAC1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F8O/c6-2(7)3(8)14-1-4(9,10)5(11,12)13/h1H2
InChIKeyWZWZDNYPMGSNFQ-UHFFFAOYSA-N
MW230.05 g/mol
LogP3.24
Rot. Bonds3

About 1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane

1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane (PubChem CID 10868092) has the molecular formula C5H2F8O and a molecular weight of 230.05 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane
PubChem CID10868092
Molecular FormulaC5H2F8O
Molecular Weight230.05 g/mol
Exact Mass230.00
IUPAC Name1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F8O/c6-2(7)3(8)14-1-4(9,10)5(11,12)13/h1H2
InChIKeyWZWZDNYPMGSNFQ-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(1,2,2-trifluoroethenoxy)propane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane (CID 10868092) is 1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane is FC(F)=C(F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The InChIKey is WZWZDNYPMGSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F8O/c6-2(7)3(8)14-1-4(9,10)5(11,12)13/h1H2.
What are the key properties of 1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane?
1,1,1,2,2-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane has a molecular weight of 230.05 g/mol, XLogP of 3.24, 3 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-(1,2,2-trifluoroethenoxy)propane is sourced from PubChem (CID 10868092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).