2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium

C12H16F6OY — CID 20759706

IUPAC2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
SMILESCC1C2CC(C1C)C(C(O)(C(F)(F)F)C(F)(F)F)C2.[Y]
InChIInChI=1S/C12H16F6O.Y/c1-5-6(2)8-3-7(5)4-9(8)10(19,11(13,14)15)12(16,17)18;/h5-9,19H,3-4H2,1-2H3;
InChIKeySEZFAYCIWXQMGM-UHFFFAOYSA-N
MW379.15 g/mol
LogP3.77
Rot. Bonds1

About 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium

2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium (PubChem CID 20759706) has the molecular formula C12H16F6OY and a molecular weight of 379.15 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
PubChem CID20759706
Molecular FormulaC12H16F6OY
Molecular Weight379.15 g/mol
Exact Mass379.02
IUPAC Name2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
SMILESCC1C2CC(C1C)C(C(O)(C(F)(F)F)C(F)(F)F)C2.[Y]
InChIInChI=1S/C12H16F6O.Y/c1-5-6(2)8-3-7(5)4-9(8)10(19,11(13,14)15)12(16,17)18;/h5-9,19H,3-4H2,1-2H3;
InChIKeySEZFAYCIWXQMGM-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.15
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium with MolForge

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Related Compounds

alpha-Ethyl-alpha,beta-dimethylbicyclo(2.2.1)heptane-2-propanol
CID 44150043
2-(Bicyclo[2.2.1]heptane-2-yl)-1,1-bis(trifluoromethyl)ethanol
CID 18439564
3,3-Difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 18439566
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol
CID 20593676
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
3-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 20593702
5,6-Dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 20593712
3-(2-Bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734465
1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743871
1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743872
1,1,1,3,3,3-Hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743873
1,1,1,3,3,3-Hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743874

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
The IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium (CID 20759706) is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium.
What is the SMILES notation for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
The canonical SMILES for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium is CC1C2CC(C1C)C(C(O)(C(F)(F)F)C(F)(F)F)C2.[Y].
What is the InChIKey of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
The InChIKey is SEZFAYCIWXQMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6O.Y/c1-5-6(2)8-3-7(5)4-9(8)10(19,11(13,14)15)12(16,17)18;/h5-9,19H,3-4H2,1-2H3;.
What are the key properties of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium has a molecular weight of 379.15 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium is sourced from PubChem (CID 20759706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).