2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane

C13H20F6O2 — CID 20756281

IUPAC2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane
SMILESCCC(C)CC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O2/c1-3-9(2)8-11(12(14,15)16,13(17,18)19)21-10-6-4-5-7-20-10/h9-10H,3-8H2,1-2H3
InChIKeyDZOZVCAFWNLRTN-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.83
Rot. Bonds5

About 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane

2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane (PubChem CID 20756281) has the molecular formula C13H20F6O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane
PubChem CID20756281
Molecular FormulaC13H20F6O2
Molecular Weight322.29 g/mol
Exact Mass322.14
IUPAC Name2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane
SMILESCCC(C)CC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O2/c1-3-9(2)8-11(12(14,15)16,13(17,18)19)21-10-6-4-5-7-20-10/h9-10H,3-8H2,1-2H3
InChIKeyDZOZVCAFWNLRTN-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane?
The IUPAC name of 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane (CID 20756281) is 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane.
What is the SMILES notation for 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane?
The canonical SMILES for 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane is CCC(C)CC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane?
The InChIKey is DZOZVCAFWNLRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6O2/c1-3-9(2)8-11(12(14,15)16,13(17,18)19)21-10-6-4-5-7-20-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane?
2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane has a molecular weight of 322.29 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane is sourced from PubChem (CID 20756281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).