(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine

C12H20F3NO2 — CID 170343486

IUPAC(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine
SMILESCOCC1(CN2CC[C@H](COC(F)(F)F)C2)CC1
InChIInChI=1S/C12H20F3NO2/c1-17-9-11(3-4-11)8-16-5-2-10(6-16)7-18-12(13,14)15/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyVGTBIBSGPPTKMD-JTQLQIEISA-N
MW267.29 g/mol
LogP2.27
Rot. Bonds6

About (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine

(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine (PubChem CID 170343486) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine
PubChem CID170343486
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine
SMILESCOCC1(CN2CC[C@H](COC(F)(F)F)C2)CC1
InChIInChI=1S/C12H20F3NO2/c1-17-9-11(3-4-11)8-16-5-2-10(6-16)7-18-12(13,14)15/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyVGTBIBSGPPTKMD-JTQLQIEISA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine?
The IUPAC name of (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine (CID 170343486) is (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine.
What is the SMILES notation for (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine?
The canonical SMILES for (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine is COCC1(CN2CC[C@H](COC(F)(F)F)C2)CC1.
What is the InChIKey of (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine?
The InChIKey is VGTBIBSGPPTKMD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-17-9-11(3-4-11)8-16-5-2-10(6-16)7-18-12(13,14)15/h10H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine?
(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine has a molecular weight of 267.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine is sourced from PubChem (CID 170343486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).