1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene

C10H12F4O — CID 66680850

IUPAC1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene
SMILESC=CCC(OC1=C(F)CCC1)C(F)(F)F
InChIInChI=1S/C10H12F4O/c1-2-4-9(10(12,13)14)15-8-6-3-5-7(8)11/h2,9H,1,3-6H2
InChIKeyUYUOYNFHXVXHJB-UHFFFAOYSA-N
MW224.20 g/mol
LogP3.88
Rot. Bonds4

About 1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene

1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene (PubChem CID 66680850) has the molecular formula C10H12F4O and a molecular weight of 224.20 g/mol. Its IUPAC name is 1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene.

Molecular Properties

Compound Name1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene
PubChem CID66680850
Molecular FormulaC10H12F4O
Molecular Weight224.20 g/mol
Exact Mass224.08
IUPAC Name1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene
SMILESC=CCC(OC1=C(F)CCC1)C(F)(F)F
InChIInChI=1S/C10H12F4O/c1-2-4-9(10(12,13)14)15-8-6-3-5-7(8)11/h2,9H,1,3-6H2
InChIKeyUYUOYNFHXVXHJB-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene?
The IUPAC name of 1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene (CID 66680850) is 1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene.
What is the SMILES notation for 1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene?
The canonical SMILES for 1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene is C=CCC(OC1=C(F)CCC1)C(F)(F)F.
What is the InChIKey of 1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene?
The InChIKey is UYUOYNFHXVXHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O/c1-2-4-9(10(12,13)14)15-8-6-3-5-7(8)11/h2,9H,1,3-6H2.
What are the key properties of 1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene?
1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene has a molecular weight of 224.20 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene is sourced from PubChem (CID 66680850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).