2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol

C13H22F3NO2 — CID 114339325

IUPAC2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)9-19-8-7-17-6-2-4-11(17)10-3-1-5-12(10)18/h10-12,18H,1-9H2
InChIKeyRHNYONIOMUAZOK-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.19
Rot. Bonds5

About 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 114339325) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID114339325
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)9-19-8-7-17-6-2-4-11(17)10-3-1-5-12(10)18/h10-12,18H,1-9H2
InChIKeyRHNYONIOMUAZOK-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde
CID 175542192
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102903058
1-[2-(2-Hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209220
2-[2,2-Difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 107485535
2-[1-(4,4,4-Trifluorobutyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 113569247
2-[1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 113569259
2-[1-(3,3,3-Trifluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339029
2-[1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339068
2-[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339091
2-[1-(3-Fluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339113
2-[1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339152
2-[1-[2-(Trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339297

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 114339325) is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol is OC1CCCC1C1CCCN1CCOCC(F)(F)F.
What is the InChIKey of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is RHNYONIOMUAZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)9-19-8-7-17-6-2-4-11(17)10-3-1-5-12(10)18/h10-12,18H,1-9H2.
What are the key properties of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 281.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114339325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).