5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol

C11H8F12O — CID 13395542

IUPAC5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC1C(C(F)(F)F)(C(F)(F)F)C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F12O/c12-8(13,14)6(9(15,16)17)3-1-4(5(24)2-3)7(6,10(18,19)20)11(21,22)23/h3-5,24H,1-2H2
InChIKeyWVKQVQMKZNIYEA-UHFFFAOYSA-N
MW384.16 g/mol
LogP4.61
Rot. Bonds

About 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol

5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 13395542) has the molecular formula C11H8F12O and a molecular weight of 384.16 g/mol. Its IUPAC name is 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID13395542
Molecular FormulaC11H8F12O
Molecular Weight384.16 g/mol
Exact Mass384.04
IUPAC Name5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC1C(C(F)(F)F)(C(F)(F)F)C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F12O/c12-8(13,14)6(9(15,16)17)3-1-4(5(24)2-3)7(6,10(18,19)20)11(21,22)23/h3-5,24H,1-2H2
InChIKeyWVKQVQMKZNIYEA-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.16
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol (CID 13395542) is 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol is OC1CC2CC1C(C(F)(F)F)(C(F)(F)F)C2(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is WVKQVQMKZNIYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F12O/c12-8(13,14)6(9(15,16)17)3-1-4(5(24)2-3)7(6,10(18,19)20)11(21,22)23/h3-5,24H,1-2H2.
What are the key properties of 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 384.16 g/mol, XLogP of 4.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 13395542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).