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

C10H9F9O2 — CID 59678763

IUPAC1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol
SMILESOC(CC1(F)C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F9O2/c11-6(4-1-2-5(21-4)8(6,12)13)3-7(20,9(14,15)16)10(17,18)19/h4-5,20H,1-3H2
InChIKeyHSGOWLJITSVQLX-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.14
Rot. Bonds2

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

1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol (PubChem CID 59678763) has the molecular formula C10H9F9O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol
PubChem CID59678763
Molecular FormulaC10H9F9O2
Molecular Weight332.16 g/mol
Exact Mass332.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol
SMILESOC(CC1(F)C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F9O2/c11-6(4-1-2-5(21-4)8(6,12)13)3-7(20,9(14,15)16)10(17,18)19/h4-5,20H,1-3H2
InChIKeyHSGOWLJITSVQLX-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.14
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-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol?
The IUPAC name of 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) is 1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol is OC(CC1(F)C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol?
The InChIKey is HSGOWLJITSVQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F9O2/c11-6(4-1-2-5(21-4)8(6,12)13)3-7(20,9(14,15)16)10(17,18)19/h4-5,20H,1-3H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol has a molecular weight of 332.16 g/mol, XLogP of 3.14, 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-[(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol is sourced from PubChem (CID 59678763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).