3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine

C11H21F2NO — CID 138601828

IUPAC3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
SMILESCC(C)(C)OCCCN1CCC(F)(F)C1
InChIInChI=1S/C11H21F2NO/c1-10(2,3)15-8-4-6-14-7-5-11(12,13)9-14/h4-9H2,1-3H3
InChIKeyNTMNGOLHLVAGFO-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.53
Rot. Bonds4

About 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine

3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine (PubChem CID 138601828) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
PubChem CID138601828
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
SMILESCC(C)(C)OCCCN1CCC(F)(F)C1
InChIInChI=1S/C11H21F2NO/c1-10(2,3)15-8-4-6-14-7-5-11(12,13)9-14/h4-9H2,1-3H3
InChIKeyNTMNGOLHLVAGFO-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The IUPAC name of 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine (CID 138601828) is 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine is CC(C)(C)OCCCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The InChIKey is NTMNGOLHLVAGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-10(2,3)15-8-4-6-14-7-5-11(12,13)9-14/h4-9H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
3,3-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.53, 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-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine is sourced from PubChem (CID 138601828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).