1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane

C13H21F5O — CID 58813231

IUPAC1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane
SMILESCCC1CCC(CCCOCC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C13H21F5O/c1-2-10-5-6-11(8-10)4-3-7-19-9-12(14,15)13(16,17)18/h10-11H,2-9H2,1H3
InChIKeyYHCCOYNSAQMMLI-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.81
Rot. Bonds7

About 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane

1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane (PubChem CID 58813231) has the molecular formula C13H21F5O and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane.

Molecular Properties

Compound Name1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane
PubChem CID58813231
Molecular FormulaC13H21F5O
Molecular Weight288.30 g/mol
Exact Mass288.15
IUPAC Name1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane
SMILESCCC1CCC(CCCOCC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C13H21F5O/c1-2-10-5-6-11(8-10)4-3-7-19-9-12(14,15)13(16,17)18/h10-11H,2-9H2,1H3
InChIKeyYHCCOYNSAQMMLI-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane?
The IUPAC name of 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane (CID 58813231) is 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane.
What is the SMILES notation for 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane?
The canonical SMILES for 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane is CCC1CCC(CCCOCC(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane?
The InChIKey is YHCCOYNSAQMMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F5O/c1-2-10-5-6-11(8-10)4-3-7-19-9-12(14,15)13(16,17)18/h10-11H,2-9H2,1H3.
What are the key properties of 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane?
1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane has a molecular weight of 288.30 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane is sourced from PubChem (CID 58813231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).