4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene

C10H11F3O — CID 155420259

IUPAC4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene
SMILESCC1=CC=C(OCC(F)(F)F)CC=C1
InChIInChI=1S/C10H11F3O/c1-8-3-2-4-9(6-5-8)14-7-10(11,12)13/h2-3,5-6H,4,7H2,1H3
InChIKeyKDFJIPALKKAAGT-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.36
Rot. Bonds2

About 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene

4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene (PubChem CID 155420259) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene
PubChem CID155420259
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene
SMILESCC1=CC=C(OCC(F)(F)F)CC=C1
InChIInChI=1S/C10H11F3O/c1-8-3-2-4-9(6-5-8)14-7-10(11,12)13/h2-3,5-6H,4,7H2,1H3
InChIKeyKDFJIPALKKAAGT-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene (CID 155420259) is 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene is CC1=CC=C(OCC(F)(F)F)CC=C1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene?
The InChIKey is KDFJIPALKKAAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-8-3-2-4-9(6-5-8)14-7-10(11,12)13/h2-3,5-6H,4,7H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene?
4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene has a molecular weight of 204.19 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene is sourced from PubChem (CID 155420259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).