5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol

C8H8F6O2 — CID 19097010

IUPAC5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol
SMILESOC1C(O)C2CC1C(F)(F)C2(F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c9-6(8(12,13)14)2-1-3(7(6,10)11)5(16)4(2)15/h2-5,15-16H,1H2
InChIKeyRZSWSRWVOYPVEQ-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.26
Rot. Bonds

About 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol

5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol (PubChem CID 19097010) has the molecular formula C8H8F6O2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol.

Molecular Properties

Compound Name5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol
PubChem CID19097010
Molecular FormulaC8H8F6O2
Molecular Weight250.14 g/mol
Exact Mass250.04
IUPAC Name5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol
SMILESOC1C(O)C2CC1C(F)(F)C2(F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c9-6(8(12,13)14)2-1-3(7(6,10)11)5(16)4(2)15/h2-5,15-16H,1H2
InChIKeyRZSWSRWVOYPVEQ-UHFFFAOYSA-N
XLogP1.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol?
The IUPAC name of 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol (CID 19097010) is 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol.
What is the SMILES notation for 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol?
The canonical SMILES for 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol is OC1C(O)C2CC1C(F)(F)C2(F)C(F)(F)F.
What is the InChIKey of 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol?
The InChIKey is RZSWSRWVOYPVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O2/c9-6(8(12,13)14)2-1-3(7(6,10)11)5(16)4(2)15/h2-5,15-16H,1H2.
What are the key properties of 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol?
5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol has a molecular weight of 250.14 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]heptane-2,3-diol is sourced from PubChem (CID 19097010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).