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

C12H21F3O — CID 58813248

IUPAC1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
SMILESCCC1CCC(CCCOCC(F)(F)F)C1
InChIInChI=1S/C12H21F3O/c1-2-10-5-6-11(8-10)4-3-7-16-9-12(13,14)15/h10-11H,2-9H2,1H3
InChIKeyXFFDCQGDWFUCRI-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.17
Rot. Bonds6

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

1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane (PubChem CID 58813248) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane.

Molecular Properties

Compound Name1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
PubChem CID58813248
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
SMILESCCC1CCC(CCCOCC(F)(F)F)C1
InChIInChI=1S/C12H21F3O/c1-2-10-5-6-11(8-10)4-3-7-16-9-12(13,14)15/h10-11H,2-9H2,1H3
InChIKeyXFFDCQGDWFUCRI-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
The IUPAC name of 1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane (CID 58813248) is 1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane.
What is the SMILES notation for 1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
The canonical SMILES for 1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane is CCC1CCC(CCCOCC(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
The InChIKey is XFFDCQGDWFUCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O/c1-2-10-5-6-11(8-10)4-3-7-16-9-12(13,14)15/h10-11H,2-9H2,1H3.
What are the key properties of 1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane has a molecular weight of 238.29 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane is sourced from PubChem (CID 58813248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).