(2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine

C10H18F3NO2 — CID 177009658

IUPAC(2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine
SMILESCCO[C@@H](C)[C@@H]1[C@@H](OC(F)(F)F)CCN1C
InChIInChI=1S/C10H18F3NO2/c1-4-15-7(2)9-8(5-6-14(9)3)16-10(11,12)13/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyKPPWZBXTCDZBHU-XHNCKOQMSA-N
MW241.25 g/mol
LogP2.02
Rot. Bonds4

About (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine

(2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine (PubChem CID 177009658) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name(2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine
PubChem CID177009658
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name(2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine
SMILESCCO[C@@H](C)[C@@H]1[C@@H](OC(F)(F)F)CCN1C
InChIInChI=1S/C10H18F3NO2/c1-4-15-7(2)9-8(5-6-14(9)3)16-10(11,12)13/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyKPPWZBXTCDZBHU-XHNCKOQMSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
CID 168995661
(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009553
(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane
CID 177009607
ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 176920826
2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine
CID 166984272
(2S,3S)-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 171423104
(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177091664
(2R,3S)-3-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 168850357
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
CID 177217366
(2S,3S)-3-(1,1-difluoroethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 177126079
[(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine
CID 175670742

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine?
The IUPAC name of (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine (CID 177009658) is (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine.
What is the SMILES notation for (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine?
The canonical SMILES for (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine is CCO[C@@H](C)[C@@H]1[C@@H](OC(F)(F)F)CCN1C.
What is the InChIKey of (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine?
The InChIKey is KPPWZBXTCDZBHU-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-15-7(2)9-8(5-6-14(9)3)16-10(11,12)13/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine?
(2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine has a molecular weight of 241.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine is sourced from PubChem (CID 177009658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).