2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane

C11H13F11O — CID 88866197

IUPAC2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)C(F)C(F)(F)F
InChIInChI=1S/C11H13F11O/c1-4-7(3,13)9(17,10(18,19)20)11(21,22)23-5(2)6(12)8(14,15)16/h5-6H,4H2,1-3H3
InChIKeyIXGPEALQMUAUPR-UHFFFAOYSA-N
MW370.20 g/mol
LogP5.29
Rot. Bonds6

About 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane

2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane (PubChem CID 88866197) has the molecular formula C11H13F11O and a molecular weight of 370.20 g/mol. Its IUPAC name is 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane.

Molecular Properties

Compound Name2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane
PubChem CID88866197
Molecular FormulaC11H13F11O
Molecular Weight370.20 g/mol
Exact Mass370.08
IUPAC Name2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)C(F)C(F)(F)F
InChIInChI=1S/C11H13F11O/c1-4-7(3,13)9(17,10(18,19)20)11(21,22)23-5(2)6(12)8(14,15)16/h5-6H,4H2,1-3H3
InChIKeyIXGPEALQMUAUPR-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.20
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane 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 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The IUPAC name of 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane (CID 88866197) is 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane.
What is the SMILES notation for 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The canonical SMILES for 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane is CCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)C(F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The InChIKey is IXGPEALQMUAUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F11O/c1-4-7(3,13)9(17,10(18,19)20)11(21,22)23-5(2)6(12)8(14,15)16/h5-6H,4H2,1-3H3.
What are the key properties of 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane has a molecular weight of 370.20 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane is sourced from PubChem (CID 88866197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).