3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane

C11H21F3OSi — CID 123489658

IUPAC3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane
SMILESCC1(C)C2CCC(C2)C1(O)C(F)(F)F.C[SiH3]
InChIInChI=1S/C10H15F3O.CH6Si/c1-8(2)6-3-4-7(5-6)9(8,14)10(11,12)13;1-2/h6-7,14H,3-5H2,1-2H3;1-2H3
InChIKeyJHSZYOGBAWLLBR-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.14
Rot. Bonds

About 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane

3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane (PubChem CID 123489658) has the molecular formula C11H21F3OSi and a molecular weight of 254.37 g/mol. Its IUPAC name is 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane.

Molecular Properties

Compound Name3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane
PubChem CID123489658
Molecular FormulaC11H21F3OSi
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC Name3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane
SMILESCC1(C)C2CCC(C2)C1(O)C(F)(F)F.C[SiH3]
InChIInChI=1S/C10H15F3O.CH6Si/c1-8(2)6-3-4-7(5-6)9(8,14)10(11,12)13;1-2/h6-7,14H,3-5H2,1-2H3;1-2H3
InChIKeyJHSZYOGBAWLLBR-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane?
The IUPAC name of 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane (CID 123489658) is 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane.
What is the SMILES notation for 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane?
The canonical SMILES for 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane is CC1(C)C2CCC(C2)C1(O)C(F)(F)F.C[SiH3].
What is the InChIKey of 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane?
The InChIKey is JHSZYOGBAWLLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O.CH6Si/c1-8(2)6-3-4-7(5-6)9(8,14)10(11,12)13;1-2/h6-7,14H,3-5H2,1-2H3;1-2H3.
What are the key properties of 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane?
3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane has a molecular weight of 254.37 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane is sourced from PubChem (CID 123489658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).