1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane

C8H10F8O — CID 87136906

IUPAC1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane
SMILESFC(F)C(F)(F)CCOCCC(F)(F)C(F)F
InChIInChI=1S/C8H10F8O/c9-5(10)7(13,14)1-3-17-4-2-8(15,16)6(11)12/h5-6H,1-4H2
InChIKeyUBIOVRXEBPCVPU-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.58
Rot. Bonds8

About 1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane

1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane (PubChem CID 87136906) has the molecular formula C8H10F8O and a molecular weight of 274.15 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane
PubChem CID87136906
Molecular FormulaC8H10F8O
Molecular Weight274.15 g/mol
Exact Mass274.06
IUPAC Name1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane
SMILESFC(F)C(F)(F)CCOCCC(F)(F)C(F)F
InChIInChI=1S/C8H10F8O/c9-5(10)7(13,14)1-3-17-4-2-8(15,16)6(11)12/h5-6H,1-4H2
InChIKeyUBIOVRXEBPCVPU-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane?
The IUPAC name of 1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane (CID 87136906) is 1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane?
The canonical SMILES for 1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane is FC(F)C(F)(F)CCOCCC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane?
The InChIKey is UBIOVRXEBPCVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O/c9-5(10)7(13,14)1-3-17-4-2-8(15,16)6(11)12/h5-6H,1-4H2.
What are the key properties of 1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane?
1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane has a molecular weight of 274.15 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane is sourced from PubChem (CID 87136906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).