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

C12H23F2NO — CID 164879004

IUPAC3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
SMILESCC.COCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C10H17F2NO.C2H6/c1-14-8-9(2-3-9)6-13-5-4-10(11,12)7-13;1-2/h2-8H2,1H3;1-2H3
InChIKeySYIFTEACWHSTJL-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.78
Rot. Bonds4

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

3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane (PubChem CID 164879004) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
PubChem CID164879004
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
SMILESCC.COCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C10H17F2NO.C2H6/c1-14-8-9(2-3-9)6-13-5-4-10(11,12)7-13;1-2/h2-8H2,1H3;1-2H3
InChIKeySYIFTEACWHSTJL-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane 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

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-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methyl hypoiodite
CID 156062080
[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
CID 164879005
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 164904090
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 164904219
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 166533176
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane
CID 166533365

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane?
The IUPAC name of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane (CID 164879004) is 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane.
What is the SMILES notation for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane?
The canonical SMILES for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane is CC.COCC1(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane?
The InChIKey is SYIFTEACWHSTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO.C2H6/c1-14-8-9(2-3-9)6-13-5-4-10(11,12)7-13;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane?
3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane has a molecular weight of 235.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane is sourced from PubChem (CID 164879004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).