1-(5,5,5-trifluoropentyl)cyclopropene

C8H11F3 — CID 22621648

IUPAC1-(5,5,5-trifluoropentyl)cyclopropene
SMILESFC(F)(F)CCCCC1=CC1
InChIInChI=1S/C8H11F3/c9-8(10,11)6-2-1-3-7-4-5-7/h4H,1-3,5-6H2
InChIKeyJTYHGBURDMIWMG-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.44
Rot. Bonds4

About 1-(5,5,5-trifluoropentyl)cyclopropene

1-(5,5,5-trifluoropentyl)cyclopropene (PubChem CID 22621648) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-(5,5,5-trifluoropentyl)cyclopropene.

Molecular Properties

Compound Name1-(5,5,5-trifluoropentyl)cyclopropene
PubChem CID22621648
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-(5,5,5-trifluoropentyl)cyclopropene
SMILESFC(F)(F)CCCCC1=CC1
InChIInChI=1S/C8H11F3/c9-8(10,11)6-2-1-3-7-4-5-7/h4H,1-3,5-6H2
InChIKeyJTYHGBURDMIWMG-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(5,5,5-trifluoropentyl)cyclopropene?
The IUPAC name of 1-(5,5,5-trifluoropentyl)cyclopropene (CID 22621648) is 1-(5,5,5-trifluoropentyl)cyclopropene.
What is the SMILES notation for 1-(5,5,5-trifluoropentyl)cyclopropene?
The canonical SMILES for 1-(5,5,5-trifluoropentyl)cyclopropene is FC(F)(F)CCCCC1=CC1.
What is the InChIKey of 1-(5,5,5-trifluoropentyl)cyclopropene?
The InChIKey is JTYHGBURDMIWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c9-8(10,11)6-2-1-3-7-4-5-7/h4H,1-3,5-6H2.
What are the key properties of 1-(5,5,5-trifluoropentyl)cyclopropene?
1-(5,5,5-trifluoropentyl)cyclopropene has a molecular weight of 164.17 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoropentyl)cyclopropene is sourced from PubChem (CID 22621648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).