2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane

C9H12F6O2 — CID 59893071

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane
SMILESCC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-7(8(10,11)12,9(13,14)15)17-6-4-2-3-5-16-6/h6H,2-5H2,1H3
InChIKeyNGTPRADGMMDQHR-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.41
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane

2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane (PubChem CID 59893071) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane
PubChem CID59893071
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane
SMILESCC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-7(8(10,11)12,9(13,14)15)17-6-4-2-3-5-16-6/h6H,2-5H2,1H3
InChIKeyNGTPRADGMMDQHR-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,3,3,3-Pentafluoroprop-1-en-2-yloxy)oxane
CID 14068372
2H-Pyran, 2-(1,1-dimethylethoxy)tetrahydro-
CID 545247
2H-Pyran, tetrahydro-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-
CID 14068370
2-(1,1,1-Trifluoropropan-2-yloxy)oxane
CID 18927615
2-(2,2,3,3,3-Pentafluoropropoxy)oxane
CID 18927641
2-(3,3,4,4,5,5,6,6,6-Nonafluorohexoxy)oxane
CID 18927752
2-[1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane
CID 20756281
2-(4,4,4-Trifluorobutoxy)oxane
CID 54120542
2-[1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane
CID 58820888
2-(1,1,2,2,3,3,4,4,4-Nonafluorobutoxy)oxane
CID 60096369
2-[1,1,1-Trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane
CID 89298258
2-(3,3,3-Trifluoropropoxy)oxane
CID 89576364

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane (CID 59893071) is 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane is CC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane?
The InChIKey is NGTPRADGMMDQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-7(8(10,11)12,9(13,14)15)17-6-4-2-3-5-16-6/h6H,2-5H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane?
2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane has a molecular weight of 266.18 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane is sourced from PubChem (CID 59893071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).