3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C15H23F3O — CID 166846155

IUPAC3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC=C(CCC(F)(F)F)CC1CCC2C(CC)COC12
InChIInChI=1S/C15H23F3O/c1-3-11-9-19-14-12(4-5-13(11)14)8-10(2)6-7-15(16,17)18/h11-14H,2-9H2,1H3
InChIKeyKYVIPRXPBRJGKE-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.73
Rot. Bonds5

About 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 166846155) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID166846155
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC=C(CCC(F)(F)F)CC1CCC2C(CC)COC12
InChIInChI=1S/C15H23F3O/c1-3-11-9-19-14-12(4-5-13(11)14)8-10(2)6-7-15(16,17)18/h11-14H,2-9H2,1H3
InChIKeyKYVIPRXPBRJGKE-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.73
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 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 166846155) is 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is C=C(CCC(F)(F)F)CC1CCC2C(CC)COC12.
What is the InChIKey of 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is KYVIPRXPBRJGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O/c1-3-11-9-19-14-12(4-5-13(11)14)8-10(2)6-7-15(16,17)18/h11-14H,2-9H2,1H3.
What are the key properties of 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 276.34 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(5,5,5-trifluoro-2-methylidenepentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 166846155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).