2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane

C12H16F6O — CID 134374503

IUPAC2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane
SMILESCC(OCC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6O/c1-10(11(13,14)15,12(16,17)18)19-6-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3
InChIKeyLLRKBKNHYJGULS-UHFFFAOYSA-N
MW290.25 g/mol
LogP4.32
Rot. Bonds3

About 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane

2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane (PubChem CID 134374503) has the molecular formula C12H16F6O and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane
PubChem CID134374503
Molecular FormulaC12H16F6O
Molecular Weight290.25 g/mol
Exact Mass290.11
IUPAC Name2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane
SMILESCC(OCC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6O/c1-10(11(13,14)15,12(16,17)18)19-6-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3
InChIKeyLLRKBKNHYJGULS-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane with MolForge

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Related Compounds

2-Iodo-3-methyl-5-[3,3,3-trifluoro-2-propan-2-yloxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 129145407
3-(2-Bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol
CID 134222474
3-(2-Bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 134224506
2-[3,3,3-Trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 18439565
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
3-(2-Bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734465
2-[2-(Ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane
CID 20743916
2,5,6-Trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 20756283
1,1,1,3,3,3-Hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
CID 20764961
1,1,1,3,3,3-Hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20764962
2,3-Dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 20771576
3,5-Diethyl-8-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]tricyclo[5.2.1.02,6]decane
CID 20771594

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane (CID 134374503) is 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane is CC(OCC1CC2CCC1C2)(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)oxymethyl]bicyclo[2.2.1]heptane?
The InChIKey is LLRKBKNHYJGULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6O/c1-10(11(13,14)15,12(16,17)18)19-6-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3.
What are the key properties of 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane?
2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane has a molecular weight of 290.25 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 134374503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).