1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane

C9H11F9O — CID 59492086

IUPAC1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
SMILESCC(F)(F)C(C)(F)C(F)(F)OC(F)(F)C(C)(F)CF
InChIInChI=1S/C9H11F9O/c1-5(11,4-10)8(15,16)19-9(17,18)6(2,12)7(3,13)14/h4H2,1-3H3
InChIKeySYGQUWOLBPEQPX-UHFFFAOYSA-N
MW306.17 g/mol
LogP4.27
Rot. Bonds6

About 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane

1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane (PubChem CID 59492086) has the molecular formula C9H11F9O and a molecular weight of 306.17 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
PubChem CID59492086
Molecular FormulaC9H11F9O
Molecular Weight306.17 g/mol
Exact Mass306.07
IUPAC Name1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
SMILESCC(F)(F)C(C)(F)C(F)(F)OC(F)(F)C(C)(F)CF
InChIInChI=1S/C9H11F9O/c1-5(11,4-10)8(15,16)19-9(17,18)6(2,12)7(3,13)14/h4H2,1-3H3
InChIKeySYGQUWOLBPEQPX-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane?
The IUPAC name of 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane (CID 59492086) is 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane?
The canonical SMILES for 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane is CC(F)(F)C(C)(F)C(F)(F)OC(F)(F)C(C)(F)CF.
What is the InChIKey of 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane?
The InChIKey is SYGQUWOLBPEQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9O/c1-5(11,4-10)8(15,16)19-9(17,18)6(2,12)7(3,13)14/h4H2,1-3H3.
What are the key properties of 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane?
1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane has a molecular weight of 306.17 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane is sourced from PubChem (CID 59492086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).