4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine

C12H21F2NO — CID 155794389

IUPAC4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine
SMILESCN1CC(F)(F)CC1C1(OC(C)(C)C)CC1
InChIInChI=1S/C12H21F2NO/c1-10(2,3)16-11(5-6-11)9-7-12(13,14)8-15(9)4/h9H,5-8H2,1-4H3
InChIKeySXBHMUMREVRCQF-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.67
Rot. Bonds2

About 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine

4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine (PubChem CID 155794389) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine
PubChem CID155794389
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine
SMILESCN1CC(F)(F)CC1C1(OC(C)(C)C)CC1
InChIInChI=1S/C12H21F2NO/c1-10(2,3)16-11(5-6-11)9-7-12(13,14)8-15(9)4/h9H,5-8H2,1-4H3
InChIKeySXBHMUMREVRCQF-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine?
The IUPAC name of 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine (CID 155794389) is 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine.
What is the SMILES notation for 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine?
The canonical SMILES for 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine is CN1CC(F)(F)CC1C1(OC(C)(C)C)CC1.
What is the InChIKey of 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine?
The InChIKey is SXBHMUMREVRCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-10(2,3)16-11(5-6-11)9-7-12(13,14)8-15(9)4/h9H,5-8H2,1-4H3.
What are the key properties of 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine?
4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine has a molecular weight of 233.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine is sourced from PubChem (CID 155794389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).