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

C11H18F3NO — CID 169255798

IUPAC(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
SMILESCOCC1(CN2CC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C11H18F3NO/c1-16-8-10(3-4-10)7-15-5-2-9(6-15)11(12,13)14/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyCHRKBEKVKGFEOI-VIFPVBQESA-N
MW237.26 g/mol
LogP2.30
Rot. Bonds4

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

(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine (PubChem CID 169255798) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
PubChem CID169255798
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
SMILESCOCC1(CN2CC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C11H18F3NO/c1-16-8-10(3-4-10)7-15-5-2-9(6-15)11(12,13)14/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyCHRKBEKVKGFEOI-VIFPVBQESA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Difluoromethoxymethyl)-1-methylpyrrolidine
CID 131106863
N-[difluoro(oxolan-3-yl)methyl]-N-ethylethanamine
CID 140159606
3,3-Difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794157
(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794158
3,3-Difluoro-1-[[1-(2-methylbutan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 156061281
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 156062281
3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
[1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878789
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
CID 164879004
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164879005
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 164904090
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 166533176

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine (CID 169255798) is (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine is COCC1(CN2CC[C@H](C(F)(F)F)C2)CC1.
What is the InChIKey of (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The InChIKey is CHRKBEKVKGFEOI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18F3NO/c1-16-8-10(3-4-10)7-15-5-2-9(6-15)11(12,13)14/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine has a molecular weight of 237.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 169255798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).