1-ethyl-5,5-bis(trifluoromethyl)cyclopentene

C9H10F6 — CID 89230798

IUPAC1-ethyl-5,5-bis(trifluoromethyl)cyclopentene
SMILESCCC1=CCCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6/c1-2-6-4-3-5-7(6,8(10,11)12)9(13,14)15/h4H,2-3,5H2,1H3
InChIKeyOKNJDGJNQMROKJ-UHFFFAOYSA-N
MW232.17 g/mol
LogP4.23
Rot. Bonds1

About 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene

1-ethyl-5,5-bis(trifluoromethyl)cyclopentene (PubChem CID 89230798) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name1-ethyl-5,5-bis(trifluoromethyl)cyclopentene
PubChem CID89230798
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name1-ethyl-5,5-bis(trifluoromethyl)cyclopentene
SMILESCCC1=CCCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6/c1-2-6-4-3-5-7(6,8(10,11)12)9(13,14)15/h4H,2-3,5H2,1H3
InChIKeyOKNJDGJNQMROKJ-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene?
The IUPAC name of 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene (CID 89230798) is 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene.
What is the SMILES notation for 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene?
The canonical SMILES for 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene is CCC1=CCCC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene?
The InChIKey is OKNJDGJNQMROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6/c1-2-6-4-3-5-7(6,8(10,11)12)9(13,14)15/h4H,2-3,5H2,1H3.
What are the key properties of 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene?
1-ethyl-5,5-bis(trifluoromethyl)cyclopentene has a molecular weight of 232.17 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-bis(trifluoromethyl)cyclopentene is sourced from PubChem (CID 89230798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).