ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate

C10H14F6GeO2 — CID 12697951

IUPACethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate
SMILESCCOC(=O)C(=C(C(F)(F)F)C(F)(F)F)[Ge](C)(C)C
InChIInChI=1S/C10H14F6GeO2/c1-5-19-8(18)6(17(2,3)4)7(9(11,12)13)10(14,15)16/h5H2,1-4H3
InChIKeyPFNLYASMGYXEIN-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.85
Rot. Bonds3

About ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate

ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate (PubChem CID 12697951) has the molecular formula C10H14F6GeO2 and a molecular weight of 352.82 g/mol. Its IUPAC name is ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate.

Molecular Properties

Compound Nameethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate
PubChem CID12697951
Molecular FormulaC10H14F6GeO2
Molecular Weight352.82 g/mol
Exact Mass354.01
IUPAC Nameethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate
SMILESCCOC(=O)C(=C(C(F)(F)F)C(F)(F)F)[Ge](C)(C)C
InChIInChI=1S/C10H14F6GeO2/c1-5-19-8(18)6(17(2,3)4)7(9(11,12)13)10(14,15)16/h5H2,1-4H3
InChIKeyPFNLYASMGYXEIN-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate?
The IUPAC name of ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate (CID 12697951) is ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate.
What is the SMILES notation for ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate?
The canonical SMILES for ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate is CCOC(=O)C(=C(C(F)(F)F)C(F)(F)F)[Ge](C)(C)C.
What is the InChIKey of ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate?
The InChIKey is PFNLYASMGYXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6GeO2/c1-5-19-8(18)6(17(2,3)4)7(9(11,12)13)10(14,15)16/h5H2,1-4H3.
What are the key properties of ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate?
ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate has a molecular weight of 352.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-trimethylgermylbut-2-enoate is sourced from PubChem (CID 12697951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).