1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane

C15H15F15O — CID 173379753

IUPAC1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane
SMILESCCC1CCC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C15H15F15O/c1-2-7-3-4-8(5-7)31-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7-8H,2-6H2,1H3
InChIKeyJPUQQRXVQOVIKS-UHFFFAOYSA-N
MW496.25 g/mol
LogP6.96
Rot. Bonds9

About 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane

1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane (PubChem CID 173379753) has the molecular formula C15H15F15O and a molecular weight of 496.25 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane.

Molecular Properties

Compound Name1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane
PubChem CID173379753
Molecular FormulaC15H15F15O
Molecular Weight496.25 g/mol
Exact Mass496.09
IUPAC Name1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane
SMILESCCC1CCC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C15H15F15O/c1-2-7-3-4-8(5-7)31-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7-8H,2-6H2,1H3
InChIKeyJPUQQRXVQOVIKS-UHFFFAOYSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.25
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane with MolForge

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Related Compounds

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2-(1,2,2,3,3,4,4,5-Octafluorocyclopentyl)oxepane
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CID 20771105
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CID 58685987
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1-Ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane?
The IUPAC name of 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane (CID 173379753) is 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane.
What is the SMILES notation for 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane?
The canonical SMILES for 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane is CCC1CCC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane?
The InChIKey is JPUQQRXVQOVIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F15O/c1-2-7-3-4-8(5-7)31-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane?
1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane has a molecular weight of 496.25 g/mol, XLogP of 6.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane is sourced from PubChem (CID 173379753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).