1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane

C7HF13O — CID 6365727

IUPAC1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7HF13O/c8-1(9)2(10)21-7(19,20)6(17,18)5(15,16)4(13,14)3(11)12/h3H
InChIKeyIBBCNYCWBLECNN-UHFFFAOYSA-N
MW348.06 g/mol
LogP4.80
Rot. Bonds6

About 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane

1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane (PubChem CID 6365727) has the molecular formula C7HF13O and a molecular weight of 348.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane
PubChem CID6365727
Molecular FormulaC7HF13O
Molecular Weight348.06 g/mol
Exact Mass347.98
IUPAC Name1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7HF13O/c8-1(9)2(10)21-7(19,20)6(17,18)5(15,16)4(13,14)3(11)12/h3H
InChIKeyIBBCNYCWBLECNN-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 54.80
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 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane (CID 6365727) is 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane is FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane?
The InChIKey is IBBCNYCWBLECNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13O/c8-1(9)2(10)21-7(19,20)6(17,18)5(15,16)4(13,14)3(11)12/h3H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane?
1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane has a molecular weight of 348.06 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)pentane is sourced from PubChem (CID 6365727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).