1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene

C11H15F3O — CID 158556333

IUPAC1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene
SMILESCC(C)(C)C1=CC=C(OCC(F)(F)F)C1
InChIInChI=1S/C11H15F3O/c1-10(2,3)8-4-5-9(6-8)15-7-11(12,13)14/h4-5H,6-7H2,1-3H3
InChIKeyMOPISWQJLPTCFF-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.83
Rot. Bonds2

About 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene

1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene (PubChem CID 158556333) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene
PubChem CID158556333
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene
SMILESCC(C)(C)C1=CC=C(OCC(F)(F)F)C1
InChIInChI=1S/C11H15F3O/c1-10(2,3)8-4-5-9(6-8)15-7-11(12,13)14/h4-5H,6-7H2,1-3H3
InChIKeyMOPISWQJLPTCFF-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene?
The IUPAC name of 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene (CID 158556333) is 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene.
What is the SMILES notation for 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene?
The canonical SMILES for 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene is CC(C)(C)C1=CC=C(OCC(F)(F)F)C1.
What is the InChIKey of 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene?
The InChIKey is MOPISWQJLPTCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-10(2,3)8-4-5-9(6-8)15-7-11(12,13)14/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene?
1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene has a molecular weight of 220.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene is sourced from PubChem (CID 158556333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).