3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine

C8H15F2N — CID 58944778

IUPAC3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine
SMILESCC(C(F)F)C1CCN(C)C1
InChIInChI=1S/C8H15F2N/c1-6(8(9)10)7-3-4-11(2)5-7/h6-8H,3-5H2,1-2H3
InChIKeyWEJGSEKNKKXXCV-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.84
Rot. Bonds2

About 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine

3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine (PubChem CID 58944778) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine
PubChem CID58944778
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine
SMILESCC(C(F)F)C1CCN(C)C1
InChIInChI=1S/C8H15F2N/c1-6(8(9)10)7-3-4-11(2)5-7/h6-8H,3-5H2,1-2H3
InChIKeyWEJGSEKNKKXXCV-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine?
The IUPAC name of 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine (CID 58944778) is 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine?
The canonical SMILES for 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine is CC(C(F)F)C1CCN(C)C1.
What is the InChIKey of 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine?
The InChIKey is WEJGSEKNKKXXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(8(9)10)7-3-4-11(2)5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine?
3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine has a molecular weight of 163.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-yl)-1-methylpyrrolidine is sourced from PubChem (CID 58944778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).