1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol

C10H12F6O2 — CID 59678745

IUPAC1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol
SMILESOC(CC1CC2CCC1O2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O2/c11-9(12,13)8(17,10(14,15)16)4-5-3-6-1-2-7(5)18-6/h5-7,17H,1-4H2
InChIKeyNOAGOCQISKBRFS-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.80
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol (PubChem CID 59678745) has the molecular formula C10H12F6O2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol
PubChem CID59678745
Molecular FormulaC10H12F6O2
Molecular Weight278.19 g/mol
Exact Mass278.07
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol
SMILESOC(CC1CC2CCC1O2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O2/c11-9(12,13)8(17,10(14,15)16)4-5-3-6-1-2-7(5)18-6/h5-7,17H,1-4H2
InChIKeyNOAGOCQISKBRFS-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol (CID 59678745) is 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol is OC(CC1CC2CCC1O2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol?
The InChIKey is NOAGOCQISKBRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O2/c11-9(12,13)8(17,10(14,15)16)4-5-3-6-1-2-7(5)18-6/h5-7,17H,1-4H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol has a molecular weight of 278.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol is sourced from PubChem (CID 59678745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).