3-(trifluoromethoxymethyl)pyrrolidine

C6H10F3NO — CID 86812441

IUPAC3-(trifluoromethoxymethyl)pyrrolidine
SMILESFC(F)(F)OCC1CCNC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)11-4-5-1-2-10-3-5/h5,10H,1-4H2
InChIKeyWYXLXKKVNJREDP-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.13
Rot. Bonds2

About 3-(trifluoromethoxymethyl)pyrrolidine

3-(trifluoromethoxymethyl)pyrrolidine (PubChem CID 86812441) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-(trifluoromethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(trifluoromethoxymethyl)pyrrolidine
PubChem CID86812441
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-(trifluoromethoxymethyl)pyrrolidine
SMILESFC(F)(F)OCC1CCNC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)11-4-5-1-2-10-3-5/h5,10H,1-4H2
InChIKeyWYXLXKKVNJREDP-UHFFFAOYSA-N
XLogP1.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methoxymethyl)pyrrolidine
CID 22993433
3-(Ethoxymethyl)pyrrolidine
CID 45075569
3-(Methoxymethyl)pyrrolidine hydrochloride
CID 46735760
rac-((3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol
CID 70207388
(S)-3-(methoxymethyl)pyrrolidine hydrochloride
CID 71642900
3-[(Difluoromethoxy)methyl]pyrrolidine
CID 84716441
(R)-3-(Methoxymethyl)pyrrolidine hydrochloride
CID 91933778
(3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine
CID 129494946
(4-Trifluoromethyl-pyrrolidin-3-YL)-methanol hydrochloride
CID 22911440
[4-(Trifluoromethyl)pyrrolidin-3-yl]methanol
CID 22911441
((3R,4R)-4-(Trifluoromethyl)pyrrolidin-3-yl)methanol
CID 53817071
[(3R,4R)-4-(Trifluoromethyl)pyrrolidin-3-YL]methanol hydrochloride
CID 70207386

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxymethyl)pyrrolidine?
The IUPAC name of 3-(trifluoromethoxymethyl)pyrrolidine (CID 86812441) is 3-(trifluoromethoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(trifluoromethoxymethyl)pyrrolidine?
The canonical SMILES for 3-(trifluoromethoxymethyl)pyrrolidine is FC(F)(F)OCC1CCNC1.
What is the InChIKey of 3-(trifluoromethoxymethyl)pyrrolidine?
The InChIKey is WYXLXKKVNJREDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)11-4-5-1-2-10-3-5/h5,10H,1-4H2.
What are the key properties of 3-(trifluoromethoxymethyl)pyrrolidine?
3-(trifluoromethoxymethyl)pyrrolidine has a molecular weight of 169.15 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxymethyl)pyrrolidine is sourced from PubChem (CID 86812441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).