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

C12H21F2NO — CID 155794319

IUPAC3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine
SMILESCC(C)(C)OCC1(N2CCC(F)(F)C2)CC1
InChIInChI=1S/C12H21F2NO/c1-10(2,3)16-9-11(4-5-11)15-7-6-12(13,14)8-15/h4-9H2,1-3H3
InChIKeyVIUVHSBGIZQYPB-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.68
Rot. Bonds3

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

3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine (PubChem CID 155794319) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine
PubChem CID155794319
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine
SMILESCC(C)(C)OCC1(N2CCC(F)(F)C2)CC1
InChIInChI=1S/C12H21F2NO/c1-10(2,3)16-9-11(4-5-11)15-7-6-12(13,14)8-15/h4-9H2,1-3H3
InChIKeyVIUVHSBGIZQYPB-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.68
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]pyrrolidine?
The IUPAC name of 3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine (CID 155794319) is 3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine is CC(C)(C)OCC1(N2CCC(F)(F)C2)CC1.
What is the InChIKey of 3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine?
The InChIKey is VIUVHSBGIZQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-10(2,3)16-9-11(4-5-11)15-7-6-12(13,14)8-15/h4-9H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine?
3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]pyrrolidine has a molecular weight of 233.30 g/mol, XLogP of 2.68, 3 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]pyrrolidine is sourced from PubChem (CID 155794319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).