1-methyl-2-(trifluoromethoxy)pyrrolidine

C6H10F3NO — CID 123430587

IUPAC1-methyl-2-(trifluoromethoxy)pyrrolidine
SMILESCN1CCCC1OC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10-4-2-3-5(10)11-6(7,8)9/h5H,2-4H2,1H3
InChIKeyTYZZKHXJOZAUQA-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.57
Rot. Bonds1

About 1-methyl-2-(trifluoromethoxy)pyrrolidine

1-methyl-2-(trifluoromethoxy)pyrrolidine (PubChem CID 123430587) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethoxy)pyrrolidine
PubChem CID123430587
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1-methyl-2-(trifluoromethoxy)pyrrolidine
SMILESCN1CCCC1OC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10-4-2-3-5(10)11-6(7,8)9/h5H,2-4H2,1H3
InChIKeyTYZZKHXJOZAUQA-UHFFFAOYSA-N
XLogP1.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[Difluoro(methoxy)methyl]pyrrolidine
CID 18721518
1-[Ethoxy(difluoro)methyl]pyrrolidine
CID 18721520
3,3-Difluoro-1-(3-methoxypropyl)pyrrolidine
CID 21035011
3,3-Difluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222106
1-(2,2-Difluoropropoxymethyl)pyrrolidine
CID 68196822
Fluoroform;1-methyl-1-(propoxymethyl)pyrrolidin-1-ium
CID 69491476
4-(difluoromethoxy)-N,N-dimethylbutan-1-amine
CID 87379412
3-Fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
3-(Difluoromethoxymethyl)-1-methylpyrrolidine
CID 131106863
1-[1-(1,1,2-Trifluoroethoxy)ethyl]pyrrolidine
CID 138687387
1-[1-(1,2,2-Trifluoroethoxy)ethyl]pyrrolidine
CID 138687390
2-(Difluoromethoxy)-1-ethylpyrrolidine
CID 142532200

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethoxy)pyrrolidine?
The IUPAC name of 1-methyl-2-(trifluoromethoxy)pyrrolidine (CID 123430587) is 1-methyl-2-(trifluoromethoxy)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(trifluoromethoxy)pyrrolidine?
The canonical SMILES for 1-methyl-2-(trifluoromethoxy)pyrrolidine is CN1CCCC1OC(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethoxy)pyrrolidine?
The InChIKey is TYZZKHXJOZAUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10-4-2-3-5(10)11-6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethoxy)pyrrolidine?
1-methyl-2-(trifluoromethoxy)pyrrolidine has a molecular weight of 169.15 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethoxy)pyrrolidine is sourced from PubChem (CID 123430587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).