2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol

C11H11F7O — CID 22088755

IUPAC2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol
SMILESCC1(F)C(F)(F)C2(F)C3CC(O)C(C3)C2(F)C1(F)F
InChIInChI=1S/C11H11F7O/c1-7(12)10(15,16)8(13)4-2-5(6(19)3-4)9(8,14)11(7,17)18/h4-6,19H,2-3H2,1H3
InChIKeyUZKOVGOFUFLPCQ-UHFFFAOYSA-N
MW292.19 g/mol
LogP2.82
Rot. Bonds

About 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol

2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 22088755) has the molecular formula C11H11F7O and a molecular weight of 292.19 g/mol. Its IUPAC name is 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol
PubChem CID22088755
Molecular FormulaC11H11F7O
Molecular Weight292.19 g/mol
Exact Mass292.07
IUPAC Name2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol
SMILESCC1(F)C(F)(F)C2(F)C3CC(O)C(C3)C2(F)C1(F)F
InChIInChI=1S/C11H11F7O/c1-7(12)10(15,16)8(13)4-2-5(6(19)3-4)9(8,14)11(7,17)18/h4-6,19H,2-3H2,1H3
InChIKeyUZKOVGOFUFLPCQ-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol (CID 22088755) is 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol is CC1(F)C(F)(F)C2(F)C3CC(O)C(C3)C2(F)C1(F)F.
What is the InChIKey of 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is UZKOVGOFUFLPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F7O/c1-7(12)10(15,16)8(13)4-2-5(6(19)3-4)9(8,14)11(7,17)18/h4-6,19H,2-3H2,1H3.
What are the key properties of 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol?
2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 292.19 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5,5,6-heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 22088755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).