2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane

C12H15F11O — CID 88907472

IUPAC2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)C(C)(F)C(F)(F)F
InChIInChI=1S/C12H15F11O/c1-5-7(3,13)9(15,11(19,20)21)12(22,23)24-6(2)8(4,14)10(16,17)18/h6H,5H2,1-4H3
InChIKeyRJHQVHICISNYHH-UHFFFAOYSA-N
MW384.23 g/mol
LogP5.68
Rot. Bonds6

About 2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane

2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane (PubChem CID 88907472) has the molecular formula C12H15F11O and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane.

Molecular Properties

Compound Name2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
PubChem CID88907472
Molecular FormulaC12H15F11O
Molecular Weight384.23 g/mol
Exact Mass384.09
IUPAC Name2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)C(C)(F)C(F)(F)F
InChIInChI=1S/C12H15F11O/c1-5-7(3,13)9(15,11(19,20)21)12(22,23)24-6(2)8(4,14)10(16,17)18/h6H,5H2,1-4H3
InChIKeyRJHQVHICISNYHH-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.23
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The IUPAC name of 2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane (CID 88907472) is 2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane.
What is the SMILES notation for 2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The canonical SMILES for 2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane is CCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)C(C)(F)C(F)(F)F.
What is the InChIKey of 2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The InChIKey is RJHQVHICISNYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F11O/c1-5-7(3,13)9(15,11(19,20)21)12(22,23)24-6(2)8(4,14)10(16,17)18/h6H,5H2,1-4H3.
What are the key properties of 2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
2-[difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane has a molecular weight of 384.23 g/mol, XLogP of 5.68, 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-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane is sourced from PubChem (CID 88907472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).