(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine

C12H20F3NO — CID 176661044

IUPAC(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
SMILESCCOCC1(CN2CC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C12H20F3NO/c1-2-17-9-11(4-5-11)8-16-6-3-10(7-16)12(13,14)15/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyLRXBPOROBQBBFB-JTQLQIEISA-N
MW251.29 g/mol
LogP2.69
Rot. Bonds5

About (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine

(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine (PubChem CID 176661044) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
PubChem CID176661044
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
SMILESCCOCC1(CN2CC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C12H20F3NO/c1-2-17-9-11(4-5-11)8-16-6-3-10(7-16)12(13,14)15/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyLRXBPOROBQBBFB-JTQLQIEISA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 169254871
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170369368
3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane
CID 176939346
[1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
CID 169315549
4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine
CID 170601732
6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
CID 176664237
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
CID 170343536
1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 177009192
(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine
CID 176919410
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 96745643
(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926336

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine (CID 176661044) is (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine is CCOCC1(CN2CC[C@H](C(F)(F)F)C2)CC1.
What is the InChIKey of (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The InChIKey is LRXBPOROBQBBFB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20F3NO/c1-2-17-9-11(4-5-11)8-16-6-3-10(7-16)12(13,14)15/h10H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine has a molecular weight of 251.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 176661044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).