1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine

C8H14F3NO — CID 134276388

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)COCCN1CCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7-13-6-5-12-3-1-2-4-12/h1-7H2
InChIKeyLAYQIAPNEWMGQW-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.66
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine

1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine (PubChem CID 134276388) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
PubChem CID134276388
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)COCCN1CCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7-13-6-5-12-3-1-2-4-12/h1-7H2
InChIKeyLAYQIAPNEWMGQW-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1,1,2-Trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]pyrrolidine
CID 15414995
2-Pyrrolidin-1-ylethyl 2,2,2-trifluoroacetate
CID 17857555
1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
1-Methyl-3-(4,4,4-trifluorobutoxy)pyrrolidine
CID 18722941
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine
CID 18725561
3-Fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140054
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58215858
(3S)-3-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222004
(3R)-3-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222091
3,3-Difluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine (CID 134276388) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine is FC(F)(F)COCCN1CCCC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The InChIKey is LAYQIAPNEWMGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)7-13-6-5-12-3-1-2-4-12/h1-7H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 134276388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).