2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane

C14H23F7O2 — CID 134576174

IUPAC2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane
SMILESCC(C)(C)CC(C)(C)OC(F)(F)C(F)(F)OC(C)(C)C(F)(F)F
InChIInChI=1S/C14H23F7O2/c1-9(2,3)8-10(4,5)22-13(18,19)14(20,21)23-11(6,7)12(15,16)17/h8H2,1-7H3
InChIKeyZXNPPNNHUZJWPE-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.76
Rot. Bonds6

About 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane

2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane (PubChem CID 134576174) has the molecular formula C14H23F7O2 and a molecular weight of 356.32 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane
PubChem CID134576174
Molecular FormulaC14H23F7O2
Molecular Weight356.32 g/mol
Exact Mass356.16
IUPAC Name2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane
SMILESCC(C)(C)CC(C)(C)OC(F)(F)C(F)(F)OC(C)(C)C(F)(F)F
InChIInChI=1S/C14H23F7O2/c1-9(2,3)8-10(4,5)22-13(18,19)14(20,21)23-11(6,7)12(15,16)17/h8H2,1-7H3
InChIKeyZXNPPNNHUZJWPE-UHFFFAOYSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane?
The IUPAC name of 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane (CID 134576174) is 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane.
What is the SMILES notation for 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane?
The canonical SMILES for 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane is CC(C)(C)CC(C)(C)OC(F)(F)C(F)(F)OC(C)(C)C(F)(F)F.
What is the InChIKey of 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane?
The InChIKey is ZXNPPNNHUZJWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F7O2/c1-9(2,3)8-10(4,5)22-13(18,19)14(20,21)23-11(6,7)12(15,16)17/h8H2,1-7H3.
What are the key properties of 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane?
2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane has a molecular weight of 356.32 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane is sourced from PubChem (CID 134576174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).