2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol

C11H15F5O2 — CID 58589811

IUPAC2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC(O)(C(F)(F)F)C(F)(F)C1(O)CC2CCC1C2
InChIInChI=1S/C11H15F5O2/c1-8(17,11(14,15)16)10(12,13)9(18)5-6-2-3-7(9)4-6/h6-7,17-18H,2-5H2,1H3
InChIKeyNHLKALZJGRDIMQ-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.49
Rot. Bonds2

About 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol

2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 58589811) has the molecular formula C11H15F5O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID58589811
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC(O)(C(F)(F)F)C(F)(F)C1(O)CC2CCC1C2
InChIInChI=1S/C11H15F5O2/c1-8(17,11(14,15)16)10(12,13)9(18)5-6-2-3-7(9)4-6/h6-7,17-18H,2-5H2,1H3
InChIKeyNHLKALZJGRDIMQ-UHFFFAOYSA-N
XLogP2.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol (CID 58589811) is 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol is CC(O)(C(F)(F)F)C(F)(F)C1(O)CC2CCC1C2.
What is the InChIKey of 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is NHLKALZJGRDIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c1-8(17,11(14,15)16)10(12,13)9(18)5-6-2-3-7(9)4-6/h6-7,17-18H,2-5H2,1H3.
What are the key properties of 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol?
2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 274.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 58589811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).