1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane

C12H18F8O — CID 87772963

IUPAC1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane
SMILESCC(C)CC(F)(OC(F)(CC(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F8O/c1-7(2)5-9(13,11(15,16)17)21-10(14,6-8(3)4)12(18,19)20/h7-8H,5-6H2,1-4H3
InChIKeyFIBKUFBORGWSRS-UHFFFAOYSA-N
MW330.26 g/mol
LogP5.55
Rot. Bonds6

About 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane

1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane (PubChem CID 87772963) has the molecular formula C12H18F8O and a molecular weight of 330.26 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane
PubChem CID87772963
Molecular FormulaC12H18F8O
Molecular Weight330.26 g/mol
Exact Mass330.12
IUPAC Name1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane
SMILESCC(C)CC(F)(OC(F)(CC(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F8O/c1-7(2)5-9(13,11(15,16)17)21-10(14,6-8(3)4)12(18,19)20/h7-8H,5-6H2,1-4H3
InChIKeyFIBKUFBORGWSRS-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.26
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane?
The IUPAC name of 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane (CID 87772963) is 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane?
The canonical SMILES for 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane is CC(C)CC(F)(OC(F)(CC(C)C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane?
The InChIKey is FIBKUFBORGWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F8O/c1-7(2)5-9(13,11(15,16)17)21-10(14,6-8(3)4)12(18,19)20/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane?
1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane has a molecular weight of 330.26 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane is sourced from PubChem (CID 87772963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).