1-[2-(trifluoromethoxy)ethyl]pyrrolidine

C7H12F3NO — CID 154073939

IUPAC1-[2-(trifluoromethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)OCCN1CCCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-6-5-11-3-1-2-4-11/h1-6H2
InChIKeyOOFSGHKHCMIALQ-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.62
Rot. Bonds3

About 1-[2-(trifluoromethoxy)ethyl]pyrrolidine

1-[2-(trifluoromethoxy)ethyl]pyrrolidine (PubChem CID 154073939) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]pyrrolidine
PubChem CID154073939
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1-[2-(trifluoromethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)OCCN1CCCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-6-5-11-3-1-2-4-11/h1-6H2
InChIKeyOOFSGHKHCMIALQ-UHFFFAOYSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Difluoropyrrolidin-1-yl)ethan-1-ol
CID 67224438
1-(2-Methoxyethyl)pyrrolidine
CID 12183844
1-[Ethoxy(difluoro)methyl]pyrrolidine
CID 18721520
1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
(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
3-Fluoro-1-(2-methoxyethyl)pyrrolidine
CID 76707246
2,2-Difluoro-2-pyrrolidin-1-ylethanol
CID 89955103
(3S)-1-(2-ethynoxyethyl)-3-fluoropyrrolidine
CID 118412977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]pyrrolidine (CID 154073939) is 1-[2-(trifluoromethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]pyrrolidine is FC(F)(F)OCCN1CCCC1.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]pyrrolidine?
The InChIKey is OOFSGHKHCMIALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)12-6-5-11-3-1-2-4-11/h1-6H2.
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]pyrrolidine?
1-[2-(trifluoromethoxy)ethyl]pyrrolidine has a molecular weight of 183.17 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 154073939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).