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

C13H24F3NO — CID 169255911

IUPACethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
SMILESCC.COCC1(CN2CCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C11H18F3NO.C2H6/c1-16-8-10(3-4-10)7-15-5-2-9(6-15)11(12,13)14;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyHRJXWALNSCSBCE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.32
Rot. Bonds4

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

ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine (PubChem CID 169255911) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
PubChem CID169255911
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Nameethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
SMILESCC.COCC1(CN2CCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C11H18F3NO.C2H6/c1-16-8-10(3-4-10)7-15-5-2-9(6-15)11(12,13)14;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyHRJXWALNSCSBCE-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.32
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 ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine (CID 169255911) is ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine is CC.COCC1(CN2CCC(C(F)(F)F)C2)CC1.
What is the InChIKey of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The InChIKey is HRJXWALNSCSBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO.C2H6/c1-16-8-10(3-4-10)7-15-5-2-9(6-15)11(12,13)14;1-2/h9H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine has a molecular weight of 267.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 169255911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).