3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine

C13H23F2NO — CID 155794157

IUPAC3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
SMILESCC(C)(C)OCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2NO/c1-11(2,3)17-10-12(4-5-12)8-16-7-6-13(14,15)9-16/h4-10H2,1-3H3
InChIKeyIBCHDYSCWOOWEN-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.92
Rot. Bonds4

About 3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine

3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine (PubChem CID 155794157) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
PubChem CID155794157
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
SMILESCC(C)(C)OCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2NO/c1-11(2,3)17-10-12(4-5-12)8-16-7-6-13(14,15)9-16/h4-10H2,1-3H3
InChIKeyIBCHDYSCWOOWEN-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine?
The IUPAC name of 3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine (CID 155794157) is 3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine is CC(C)(C)OCC1(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of 3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine?
The InChIKey is IBCHDYSCWOOWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-11(2,3)17-10-12(4-5-12)8-16-7-6-13(14,15)9-16/h4-10H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine?
3,3-difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine has a molecular weight of 247.33 g/mol, XLogP of 2.92, 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-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 155794157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).