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

C12H21F2NO — CID 176568659

IUPAC3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCOCC1(CN2CCC(C(C)(F)F)C2)CC1
InChIInChI=1S/C12H21F2NO/c1-11(13,14)10-3-6-15(7-10)8-12(4-5-12)9-16-2/h10H,3-9H2,1-2H3
InChIKeyDWSXMVKKTJHWIN-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.39
Rot. Bonds5

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

3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 176568659) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID176568659
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCOCC1(CN2CCC(C(C)(F)F)C2)CC1
InChIInChI=1S/C12H21F2NO/c1-11(13,14)10-3-6-15(7-10)8-12(4-5-12)9-16-2/h10H,3-9H2,1-2H3
InChIKeyDWSXMVKKTJHWIN-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.39
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?
The IUPAC name of 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (CID 176568659) is 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine is COCC1(CN2CCC(C(C)(F)F)C2)CC1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is DWSXMVKKTJHWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-11(13,14)10-3-6-15(7-10)8-12(4-5-12)9-16-2/h10H,3-9H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
3-(1,1-difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 233.30 g/mol, XLogP of 2.39, 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 is sourced from PubChem (CID 176568659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).