2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine

C9H16F3NO — CID 163625319

IUPAC2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine
SMILESCOCC1NC(C)C(C(F)(F)F)C1C
InChIInChI=1S/C9H16F3NO/c1-5-7(4-14-3)13-6(2)8(5)9(10,11)12/h5-8,13H,4H2,1-3H3
InChIKeyHRMZDOOTBWGVPF-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.81
Rot. Bonds2

About 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine

2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine (PubChem CID 163625319) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine
PubChem CID163625319
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine
SMILESCOCC1NC(C)C(C(F)(F)F)C1C
InChIInChI=1S/C9H16F3NO/c1-5-7(4-14-3)13-6(2)8(5)9(10,11)12/h5-8,13H,4H2,1-3H3
InChIKeyHRMZDOOTBWGVPF-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229370
(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229372
[(2S,4S,5S)-5-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 89107713
2-(Methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615859
(2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine
CID 168881077
N-methyl-2-(3-methylpyrrolidin-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172335531
2-Ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 176568451
2-(Ethoxymethyl)-2-ethyl-4-fluoropyrrolidine
CID 176926557
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772
N-ethyl-3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 55133201
N-ethyl-3-methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491285
N,3-diethyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491324

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine (CID 163625319) is 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine is COCC1NC(C)C(C(F)(F)F)C1C.
What is the InChIKey of 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine?
The InChIKey is HRMZDOOTBWGVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-5-7(4-14-3)13-6(2)8(5)9(10,11)12/h5-8,13H,4H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine?
2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine has a molecular weight of 211.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 163625319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).