1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane

C12H20F6O — CID 89061613

IUPAC1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane
SMILESCCC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(C)(F)F
InChIInChI=1S/C12H20F6O/c1-7-8(2,3)11(15,16)12(17,18)19-9(4,5)10(6,13)14/h7H2,1-6H3
InChIKeyOOTULLMCOBUKMK-UHFFFAOYSA-N
MW294.28 g/mol
LogP5.10
Rot. Bonds6

About 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane

1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane (PubChem CID 89061613) has the molecular formula C12H20F6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane.

Molecular Properties

Compound Name1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane
PubChem CID89061613
Molecular FormulaC12H20F6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane
SMILESCCC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(C)(F)F
InChIInChI=1S/C12H20F6O/c1-7-8(2,3)11(15,16)12(17,18)19-9(4,5)10(6,13)14/h7H2,1-6H3
InChIKeyOOTULLMCOBUKMK-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.28
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-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 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane?
The IUPAC name of 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane (CID 89061613) is 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane.
What is the SMILES notation for 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane?
The canonical SMILES for 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane is CCC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(C)(F)F.
What is the InChIKey of 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane?
The InChIKey is OOTULLMCOBUKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O/c1-7-8(2,3)11(15,16)12(17,18)19-9(4,5)10(6,13)14/h7H2,1-6H3.
What are the key properties of 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane?
1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane has a molecular weight of 294.28 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane is sourced from PubChem (CID 89061613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).