1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol

C10H12F6O2 — CID 59539861

IUPAC1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol
SMILESC[C@@H]1CC2OC1CC2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O2/c1-4-2-7-5(3-6(4)18-7)8(17,9(11,12)13)10(14,15)16/h4-7,17H,2-3H2,1H3/t4-,5?,6?,7?/m1/s1
InChIKeyHJBUNUQDJBIUKS-BJMCJPPVSA-N
MW278.19 g/mol
LogP2.66
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol (PubChem CID 59539861) 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-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol
PubChem CID59539861
Molecular FormulaC10H12F6O2
Molecular Weight278.19 g/mol
Exact Mass278.07
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol
SMILESC[C@@H]1CC2OC1CC2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O2/c1-4-2-7-5(3-6(4)18-7)8(17,9(11,12)13)10(14,15)16/h4-7,17H,2-3H2,1H3/t4-,5?,6?,7?/m1/s1
InChIKeyHJBUNUQDJBIUKS-BJMCJPPVSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol with MolForge

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Related Compounds

4-(3,3-Difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 59678743
1,1,1,3,3,3-Hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propan-2-ol
CID 59678745
1,1,1,3,3,3-Hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
CID 59678746
1,1,1,3,3,3-Hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol
CID 59678750
1,1,1,3,3,3-Hexafluoro-2-(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
CID 59678758
1,1,1,3,3,3-Hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol
CID 59678763
2-(3,3-Difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59678767
1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
CID 59678769
2-[(3,3-Difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59678770
1,1,1-Trifluoro-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
CID 169861650
4,4,4-Trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol
CID 64567577
2,2,2-Trifluoro-1-{7-oxabicyclo[2.2.1]heptan-2-yl}ethan-1-ol
CID 66467005

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol (CID 59539861) is 1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol is C[C@@H]1CC2OC1CC2C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol?
The InChIKey is HJBUNUQDJBIUKS-BJMCJPPVSA-N. The full InChI is InChI=1S/C10H12F6O2/c1-4-2-7-5(3-6(4)18-7)8(17,9(11,12)13)10(14,15)16/h4-7,17H,2-3H2,1H3/t4-,5?,6?,7?/m1/s1.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol has a molecular weight of 278.19 g/mol, XLogP of 2.66, 1 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-[(5R)-5-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-ol is sourced from PubChem (CID 59539861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).