5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)

C14H19F3O2U — CID 163638074

IUPAC5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)
SMILESC=C(C)[C-]=O.[CH2-]CC1CC2CC1CC2(O)C(F)(F)F.[U+2]
InChIInChI=1S/C10H14F3O.C4H5O.U/c1-2-6-3-8-4-7(6)5-9(8,14)10(11,12)13;1-4(2)3-5;/h6-8,14H,1-5H2;1H2,2H3;/q2*-1;+2
InChIKeyQXQRUOKSNYTZPI-UHFFFAOYSA-N
MW514.33 g/mol
LogP3.22
Rot. Bonds2

About 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)

5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+) (PubChem CID 163638074) has the molecular formula C14H19F3O2U and a molecular weight of 514.33 g/mol. Its IUPAC name is 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+).

Molecular Properties

Compound Name5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)
PubChem CID163638074
Molecular FormulaC14H19F3O2U
Molecular Weight514.33 g/mol
Exact Mass514.18
IUPAC Name5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)
SMILESC=C(C)[C-]=O.[CH2-]CC1CC2CC1CC2(O)C(F)(F)F.[U+2]
InChIInChI=1S/C10H14F3O.C4H5O.U/c1-2-6-3-8-4-7(6)5-9(8,14)10(11,12)13;1-4(2)3-5;/h6-8,14H,1-5H2;1H2,2H3;/q2*-1;+2
InChIKeyQXQRUOKSNYTZPI-UHFFFAOYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)?
The IUPAC name of 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+) (CID 163638074) is 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+).
What is the SMILES notation for 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)?
The canonical SMILES for 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+) is C=C(C)[C-]=O.[CH2-]CC1CC2CC1CC2(O)C(F)(F)F.[U+2].
What is the InChIKey of 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)?
The InChIKey is QXQRUOKSNYTZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3O.C4H5O.U/c1-2-6-3-8-4-7(6)5-9(8,14)10(11,12)13;1-4(2)3-5;/h6-8,14H,1-5H2;1H2,2H3;/q2*-1;+2.
What are the key properties of 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)?
5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+) has a molecular weight of 514.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+) is sourced from PubChem (CID 163638074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).