1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane

C7H6F10O — CID 19063498

IUPAC1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane
SMILESFC(F)C(F)C(F)(F)C(F)(F)COCC(F)(F)F
InChIInChI=1S/C7H6F10O/c8-3(4(9)10)7(16,17)5(11,12)1-18-2-6(13,14)15/h3-4H,1-2H2
InChIKeyKRXZCZLOICCHMY-UHFFFAOYSA-N
MW296.10 g/mol
LogP3.44
Rot. Bonds6

About 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane

1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane (PubChem CID 19063498) has the molecular formula C7H6F10O and a molecular weight of 296.10 g/mol. Its IUPAC name is 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane
PubChem CID19063498
Molecular FormulaC7H6F10O
Molecular Weight296.10 g/mol
Exact Mass296.03
IUPAC Name1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane
SMILESFC(F)C(F)C(F)(F)C(F)(F)COCC(F)(F)F
InChIInChI=1S/C7H6F10O/c8-3(4(9)10)7(16,17)5(11,12)1-18-2-6(13,14)15/h3-4H,1-2H2
InChIKeyKRXZCZLOICCHMY-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane?
The IUPAC name of 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane (CID 19063498) is 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane.
What is the SMILES notation for 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane?
The canonical SMILES for 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane is FC(F)C(F)C(F)(F)C(F)(F)COCC(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane?
The InChIKey is KRXZCZLOICCHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O/c8-3(4(9)10)7(16,17)5(11,12)1-18-2-6(13,14)15/h3-4H,1-2H2.
What are the key properties of 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane?
1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane has a molecular weight of 296.10 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4-heptafluoro-5-(2,2,2-trifluoroethoxy)pentane is sourced from PubChem (CID 19063498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).