1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane

C12H17F3O — CID 58813232

IUPAC1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane
SMILESC=CC1CCC(/C=C/COCC(F)(F)F)C1
InChIInChI=1S/C12H17F3O/c1-2-10-5-6-11(8-10)4-3-7-16-9-12(13,14)15/h2-4,10-11H,1,5-9H2/b4-3+
InChIKeyAHLOOFFSRUGICH-ONEGZZNKSA-N
MW234.26 g/mol
LogP3.72
Rot. Bonds5

About 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane

1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane (PubChem CID 58813232) has the molecular formula C12H17F3O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane.

Molecular Properties

Compound Name1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane
PubChem CID58813232
Molecular FormulaC12H17F3O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane
SMILESC=CC1CCC(/C=C/COCC(F)(F)F)C1
InChIInChI=1S/C12H17F3O/c1-2-10-5-6-11(8-10)4-3-7-16-9-12(13,14)15/h2-4,10-11H,1,5-9H2/b4-3+
InChIKeyAHLOOFFSRUGICH-ONEGZZNKSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane?
The IUPAC name of 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane (CID 58813232) is 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane.
What is the SMILES notation for 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane?
The canonical SMILES for 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane is C=CC1CCC(/C=C/COCC(F)(F)F)C1.
What is the InChIKey of 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane?
The InChIKey is AHLOOFFSRUGICH-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H17F3O/c1-2-10-5-6-11(8-10)4-3-7-16-9-12(13,14)15/h2-4,10-11H,1,5-9H2/b4-3+.
What are the key properties of 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane?
1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane has a molecular weight of 234.26 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[(E)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopentane is sourced from PubChem (CID 58813232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).