4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane

C15H17F7O — CID 123887806

IUPAC4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane
SMILESFC1=C(OCCC=CC2CCCCC2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H17F7O/c16-11-12(14(19,20)15(21,22)13(11,17)18)23-9-5-4-8-10-6-2-1-3-7-10/h4,8,10H,1-3,5-7,9H2
InChIKeyGTDYMHFTSUXMOT-UHFFFAOYSA-N
MW346.29 g/mol
LogP5.63
Rot. Bonds5

About 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane

4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane (PubChem CID 123887806) has the molecular formula C15H17F7O and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane.

Molecular Properties

Compound Name4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane
PubChem CID123887806
Molecular FormulaC15H17F7O
Molecular Weight346.29 g/mol
Exact Mass346.12
IUPAC Name4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane
SMILESFC1=C(OCCC=CC2CCCCC2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H17F7O/c16-11-12(14(19,20)15(21,22)13(11,17)18)23-9-5-4-8-10-6-2-1-3-7-10/h4,8,10H,1-3,5-7,9H2
InChIKeyGTDYMHFTSUXMOT-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.29
LogP ≤ 55.63
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane?
The IUPAC name of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane (CID 123887806) is 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane.
What is the SMILES notation for 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane?
The canonical SMILES for 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane is FC1=C(OCCC=CC2CCCCC2)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane?
The InChIKey is GTDYMHFTSUXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F7O/c16-11-12(14(19,20)15(21,22)13(11,17)18)23-9-5-4-8-10-6-2-1-3-7-10/h4,8,10H,1-3,5-7,9H2.
What are the key properties of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane?
4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane has a molecular weight of 346.29 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane is sourced from PubChem (CID 123887806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).