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

C14H27F2NO — CID 176568658

IUPAC3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
SMILESCC.COCC1(CN2CCC(C(C)(F)F)C2)CC1
InChIInChI=1S/C12H21F2NO.C2H6/c1-11(13,14)10-3-6-15(7-10)8-12(4-5-12)9-16-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyPTAQCLXUEKAHLA-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.42
Rot. Bonds5

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

3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane (PubChem CID 176568658) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
PubChem CID176568658
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
SMILESCC.COCC1(CN2CCC(C(C)(F)F)C2)CC1
InChIInChI=1S/C12H21F2NO.C2H6/c1-11(13,14)10-3-6-15(7-10)8-12(4-5-12)9-16-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyPTAQCLXUEKAHLA-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane?
The IUPAC name of 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane (CID 176568658) is 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane is CC.COCC1(CN2CCC(C(C)(F)F)C2)CC1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane?
The InChIKey is PTAQCLXUEKAHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO.C2H6/c1-11(13,14)10-3-6-15(7-10)8-12(4-5-12)9-16-2;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane?
3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane has a molecular weight of 263.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane is sourced from PubChem (CID 176568658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).