3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane

C12H16F10O — CID 88936043

IUPAC3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane
SMILESCCC(C)(C(F)C(F)(F)F)C(C)(C)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H16F10O/c1-5-9(4,6(13)11(18,19)20)8(2,3)23-12(21,22)10(16,17)7(14)15/h6-7H,5H2,1-4H3
InChIKeyQODFPHJRTOYBGQ-UHFFFAOYSA-N
MW366.24 g/mol
LogP5.59
Rot. Bonds7

About 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane

3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane (PubChem CID 88936043) has the molecular formula C12H16F10O and a molecular weight of 366.24 g/mol. Its IUPAC name is 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane.

Molecular Properties

Compound Name3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane
PubChem CID88936043
Molecular FormulaC12H16F10O
Molecular Weight366.24 g/mol
Exact Mass366.10
IUPAC Name3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane
SMILESCCC(C)(C(F)C(F)(F)F)C(C)(C)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H16F10O/c1-5-9(4,6(13)11(18,19)20)8(2,3)23-12(21,22)10(16,17)7(14)15/h6-7H,5H2,1-4H3
InChIKeyQODFPHJRTOYBGQ-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.24
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane?
The IUPAC name of 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane (CID 88936043) is 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane.
What is the SMILES notation for 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane?
The canonical SMILES for 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane is CCC(C)(C(F)C(F)(F)F)C(C)(C)OC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane?
The InChIKey is QODFPHJRTOYBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F10O/c1-5-9(4,6(13)11(18,19)20)8(2,3)23-12(21,22)10(16,17)7(14)15/h6-7H,5H2,1-4H3.
What are the key properties of 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane?
3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane has a molecular weight of 366.24 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane is sourced from PubChem (CID 88936043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).