1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane

C6H4F10O — CID 19063495

IUPAC1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane
SMILESFC(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10O/c7-3(8,1-17-2-4(9,10)11)5(12,13)6(14,15)16/h1-2H2
InChIKeyQOSUIOIPWFZIRC-UHFFFAOYSA-N
MW282.08 g/mol
LogP3.40
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane

1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane (PubChem CID 19063495) has the molecular formula C6H4F10O and a molecular weight of 282.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane
PubChem CID19063495
Molecular FormulaC6H4F10O
Molecular Weight282.08 g/mol
Exact Mass282.01
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane
SMILESFC(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10O/c7-3(8,1-17-2-4(9,10)11)5(12,13)6(14,15)16/h1-2H2
InChIKeyQOSUIOIPWFZIRC-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 53.40
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 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane (CID 19063495) is 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane is FC(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane?
The InChIKey is QOSUIOIPWFZIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10O/c7-3(8,1-17-2-4(9,10)11)5(12,13)6(14,15)16/h1-2H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane?
1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane has a molecular weight of 282.08 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-4-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 19063495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).