4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane

C12H22F4 — CID 88578867

IUPAC4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
SMILESCCC(C)(C)C(F)(F)C(F)(F)C(C)(C)CC
InChIInChI=1S/C12H22F4/c1-7-9(3,4)11(13,14)12(15,16)10(5,6)8-2/h7-8H2,1-6H3
InChIKeySBWFBNXDSPSMNE-UHFFFAOYSA-N
MW242.30 g/mol
LogP5.13
Rot. Bonds5

About 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane

4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane (PubChem CID 88578867) has the molecular formula C12H22F4 and a molecular weight of 242.30 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
PubChem CID88578867
Molecular FormulaC12H22F4
Molecular Weight242.30 g/mol
Exact Mass242.17
IUPAC Name4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
SMILESCCC(C)(C)C(F)(F)C(F)(F)C(C)(C)CC
InChIInChI=1S/C12H22F4/c1-7-9(3,4)11(13,14)12(15,16)10(5,6)8-2/h7-8H2,1-6H3
InChIKeySBWFBNXDSPSMNE-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.30
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane?
The IUPAC name of 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane (CID 88578867) is 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane.
What is the SMILES notation for 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane?
The canonical SMILES for 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane is CCC(C)(C)C(F)(F)C(F)(F)C(C)(C)CC.
What is the InChIKey of 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane?
The InChIKey is SBWFBNXDSPSMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F4/c1-7-9(3,4)11(13,14)12(15,16)10(5,6)8-2/h7-8H2,1-6H3.
What are the key properties of 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane?
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane has a molecular weight of 242.30 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane is sourced from PubChem (CID 88578867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).